data_5wot_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 5wot _Structure_validation_residue.Date_analyzed 2018-02-02 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 ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 183' ' ' ARG . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.619 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.475 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.475 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' A' ' 60' ' ' PRO . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.464 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.868 0.366 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.569 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.474 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.474 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 67' ' ' VAL . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.431 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.431 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.559 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.452 ' HD1' ' N ' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 146' ' ' SER . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.328 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.434 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.501 ' C ' ' HD2' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . 0.452 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.624 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.624 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.418 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.429 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.45 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.559 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.425 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . 0.407 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HB3' HG12 ' A' ' 196' ' ' VAL . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 196' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 77' ' ' PRO . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -96.17 136.19 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.417 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -125.65 86.94 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.1 mt -74.17 120.93 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.13 13.76 82.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.02 29.56 37.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.81 142.37 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.455 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.455 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.468 ' HA ' ' HB3' ' A' ' 170' ' ' CYS . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -175.02 -164.35 29.59 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -80.02 70.11 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.449 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 96.9 t -84.57 133.25 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -87.63 171.57 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 94.4 p -71.58 -9.18 57.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -71.9 -12.6 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 111.2 -14.84 28.18 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -150.11 177.93 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 111.177 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.449 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 52.9 p-10 -125.79 3.28 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 170.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . 0.468 ' HB3' ' HA ' ' A' ' 137' ' ' CYS . 23.7 p -84.39 -10.74 57.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.7 69.88 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.02 137.76 23.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.94 144.86 20.31 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.711 1.607 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.45 -19.57 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -169.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.8 p -68.51 -19.61 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -108.94 -38.65 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.83 151.91 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p -156.42 -177.13 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 183' ' ' ARG . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.619 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.619 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.475 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.475 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -152.15 -178.72 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.226 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.464 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -127.53 87.93 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.9 mt -71.83 115.39 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.28 12.16 81.93 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.07 67.71 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.58 133.41 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.48 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.48 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.468 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.417 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 133.63 -140.0 11.42 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -80.77 75.79 7.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.184 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.6 120.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -50.48 151.43 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 93.2 p -61.48 -23.04 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -92.24 -8.17 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 75.74 41.14 29.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -152.63 99.82 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.221 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -97.1 10.77 38.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.55 -14.18 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -101.72 9.36 56.94 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 85.9 mt -114.6 125.41 29.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.64 144.37 64.58 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.195 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.0 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.8 p -70.6 -16.18 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -102.89 4.93 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -174.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -143.44 173.68 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t -150.58 114.8 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.493 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.493 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.417 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -97.1 130.69 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.427 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.433 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -106.3 81.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.411 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 91.5 mt -80.62 117.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 10.73 73.3 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.57 43.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.94 144.3 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 60' ' ' PRO . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.454 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.401 ' HA3' ' HG3' ' A' ' 60' ' ' PRO . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.434 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 132.62 -168.02 22.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 57.7 t-20 -80.41 71.81 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 36.0 m -80.87 150.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -127.41 149.92 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.2 p -76.45 -9.29 58.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -75.12 -12.69 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 110.32 -17.73 28.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -163.74 157.29 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 162' ' ' ASN . 50.1 p30 -109.51 33.54 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.0 m -74.49 -15.47 60.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -96.55 9.01 66.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 50.5 mm -94.66 126.62 46.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -55.26 149.36 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.76 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.5 p -68.33 -21.11 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -115.37 -24.44 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -75.98 133.99 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p -159.57 158.38 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.434 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.505 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.464 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.464 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -97.65 138.53 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -146.12 161.01 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.3 93.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.63 30.6 76.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.32 -23.01 16.74 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 74.81 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 65' ' ' ALA . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.431 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.442 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.408 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.844 ' O ' HD12 ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -112.94 -107.22 2.83 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -82.11 95.27 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.409 HG12 ' HB3' ' A' ' 169' ' ' ASN . 33.8 m -127.99 161.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -80.49 -169.35 2.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.7 p -67.9 -22.62 65.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -101.28 8.7 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 80.78 12.61 82.57 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -85.73 117.18 24.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.409 ' HB3' HG12 ' A' ' 163' ' ' VAL . 43.2 p30 -117.84 9.44 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 63.2 m -92.53 -18.65 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.62 -13.93 66.52 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 97.8 mt -80.52 135.22 53.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_exo -52.15 146.84 29.34 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.148 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.69 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -172.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -76.62 -7.92 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -117.85 -41.96 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 -64.8 153.99 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p -161.74 165.73 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.569 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.474 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.474 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.401 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.413 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -89.77 114.34 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.417 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.42 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.409 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -133.35 96.59 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -100.71 122.48 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 22.94 76.91 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.34 57.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.44 130.32 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' HA ' ' HA ' ' A' ' 67' ' ' VAL . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.42 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.428 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 147.13 -169.15 28.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -82.65 112.31 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.209 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.78 170.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -77.41 153.95 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -65.07 -17.05 64.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -92.32 1.9 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 76.83 38.87 30.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -168.51 102.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -102.65 37.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 67.9 m -74.76 -29.33 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.76 -6.43 79.94 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.99 126.38 49.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.54 144.49 62.96 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.85 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -69.99 -17.42 63.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -102.82 3.35 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -141.3 179.11 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p -149.34 159.38 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.431 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.431 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -101.06 132.54 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.642 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -145.63 148.17 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.9 mt -118.59 113.84 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.4 17.78 79.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.29 53.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.83 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.457 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.457 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.507 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.407 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -171.99 -179.0 42.65 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -85.34 72.06 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.98 164.38 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 175.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -111.83 173.93 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 91.2 p -77.96 -24.18 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -103.04 -4.82 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -154.39 115.77 0.69 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -159.21 -172.18 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.259 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 75.53 169.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.6 m -71.26 -1.21 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.209 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.08 -26.23 60.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 97.8 mt -72.88 132.47 82.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -49.13 133.94 29.69 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.694 1.596 . . . . 0.0 111.195 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.19 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.9 p -69.03 -17.0 63.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -104.02 5.27 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -173.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -148.25 166.66 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p -164.37 156.24 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.559 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.559 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -105.34 143.0 34.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -129.4 88.3 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -72.05 116.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.26 11.58 82.01 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.02 -9.48 70.26 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 131.75 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.452 ' HD1' ' N ' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.575 ' HD2' ' O ' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.456 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.407 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.409 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 146' ' ' SER . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.454 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.412 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' MET . . . . . 0.403 ' H ' ' HB2' ' A' ' 169' ' ' ASN . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -83.37 162.18 39.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -103.86 9.69 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.343 . . . . 0.0 111.165 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.38 -178.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -65.63 151.73 45.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.21 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.8 p -67.47 -18.79 65.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -97.15 9.28 42.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -130.03 -165.43 11.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.36 176.83 11.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 111.186 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.403 ' HB2' ' H ' ' A' ' 138' ' ' MET . 14.9 m120 -100.78 -0.93 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 54.0 m -65.47 -25.89 67.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.9 4.33 85.68 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 45.5 mm -101.03 128.87 28.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.217 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 142.77 59.26 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.695 1.596 . . . . 0.0 111.227 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.67 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.0 p -74.14 -20.44 60.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -109.83 -14.74 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -74.93 143.45 43.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p -140.5 151.76 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.533 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.533 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -82.03 122.62 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.434 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -128.69 142.04 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.15 114.43 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 172.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.82 9.84 83.95 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.7 -18.05 55.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.5 139.38 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.434 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.501 ' C ' ' HD2' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.403 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.452 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . 0.452 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.28 40.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -82.6 78.65 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 -176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . 0.432 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 34.1 m -70.91 154.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.88 -176.77 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -66.82 -15.04 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.45 -13.44 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 104.17 -6.23 46.48 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -150.75 177.82 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.184 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.432 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 57.2 p30 -125.48 7.69 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.08 -11.47 58.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -79.78 -6.48 89.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.56 137.38 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.98 144.91 20.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.693 1.595 . . . . 0.0 111.189 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.28 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.9 p -67.95 -19.85 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -108.39 -38.67 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -138.81 147.35 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p -154.17 166.38 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . 0.403 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.624 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.624 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.415 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.415 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -113.1 118.19 34.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.418 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.418 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.429 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.45 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -124.86 87.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 92.7 mt -89.3 119.55 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.85 58.22 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 23.71 55.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.41 149.46 26.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.425 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.78 -171.42 42.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -80.75 81.77 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.214 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 30.6 m -73.75 155.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -83.7 -169.56 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 85.9 p -68.87 -19.02 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -95.5 4.5 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 73.15 39.11 53.84 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 168' ' ' ASN . 23.5 p30 -172.27 129.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.173 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -105.44 32.2 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.5 m -67.69 -30.77 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.41 -5.28 85.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 50.4 mm -75.87 132.17 74.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.212 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.78 143.43 38.42 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.733 1.622 . . . . 0.0 111.197 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.75 -31.06 67.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.8 p -68.82 -20.02 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -113.24 -21.96 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -74.76 138.62 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p -159.27 169.84 23.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.559 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.425 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . 0.407 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . 0.407 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -76.21 130.73 38.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.401 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.41 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -124.26 138.68 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -124.56 112.49 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.29 9.84 85.45 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.17 -25.46 27.12 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.18 142.15 29.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.436 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.41 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HB3' HG12 ' A' ' 196' ' ' VAL . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' CYS . . . . . 0.509 ' HA ' ' HB2' ' A' ' 169' ' ' ASN . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.03 -179.23 40.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -82.47 66.7 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 129.03 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -97.27 -177.09 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.5 p -67.2 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.3 -12.78 60.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.38 62.36 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -164.47 -171.32 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 -177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASN . . . . . 0.509 ' HB2' ' HA ' ' A' ' 137' ' ' CYS . 75.5 m-20 -99.9 15.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 90.4 m -100.47 148.12 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.98 56.42 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' ILE . . . . . 0.407 HG13 ' HD2' ' A' ' 173' ' ' PRO . 20.9 tt -143.41 138.38 15.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' PRO . . . . . 0.407 ' HD2' HG13 ' A' ' 172' ' ' ILE . 96.7 Cg_exo -53.38 146.4 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.19 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.31 65.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.7 p -65.65 -20.38 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -109.12 -18.99 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.21 134.42 54.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t -154.24 145.01 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LEU . . . . . 0.48 ' C ' HD23 ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' GLN . . . . . 0.565 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.402 HG12 ' HB3' ' A' ' 77' ' ' PRO . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.653 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.427 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.868 0.366 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.598 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.481 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.481 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 196' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.596 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' N ' ' HD1' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.58 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 102' ' ' ARG . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.328 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 179' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.564 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 181' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.652 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.425 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.415 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 195' ' ' LEU . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 69' ' ' LEU . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.591 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 191' ' ' TYR . . . . . 0.412 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 193' ' ' LEU . . . . . 0.412 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 195' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' A' ' 23' ' ' VAL . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 185' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -96.17 136.19 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -125.65 86.94 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.1 mt -74.17 120.93 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.13 13.76 82.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.02 29.56 37.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.81 142.37 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 170' ' ' CYS . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -175.02 -164.35 29.59 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -80.02 70.11 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.452 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 96.9 t -84.57 133.25 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -87.63 171.57 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 94.4 p -71.58 -9.18 57.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -71.9 -12.6 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 111.2 -14.84 28.18 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -150.11 177.93 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 111.177 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 52.9 p-10 -125.79 3.28 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 170.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 170' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 137' ' ' CYS . 23.7 p -84.39 -10.74 57.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.7 69.88 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.02 137.76 23.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.94 144.86 20.31 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.711 1.607 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.45 -19.57 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -169.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.8 p -68.51 -19.61 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -108.94 -38.65 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.83 151.91 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p -156.42 -177.13 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.653 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -152.15 -178.72 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.226 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -127.53 87.93 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.9 mt -71.83 115.39 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.28 12.16 81.93 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.07 67.71 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.58 133.41 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 133.63 -140.0 11.42 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -80.77 75.79 7.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.184 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.6 120.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -50.48 151.43 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 93.2 p -61.48 -23.04 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -92.24 -8.17 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 75.74 41.14 29.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -152.63 99.82 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.221 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -97.1 10.77 38.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.55 -14.18 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -101.72 9.36 56.94 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 85.9 mt -114.6 125.41 29.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.64 144.37 64.58 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.195 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.0 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.8 p -70.6 -16.18 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -102.89 4.93 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -174.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -143.44 173.68 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t -150.58 114.8 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -97.1 130.69 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -106.3 81.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 91.5 mt -80.62 117.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 10.73 73.3 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.57 43.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.94 144.3 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 132.62 -168.02 22.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 57.7 t-20 -80.41 71.81 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 36.0 m -80.87 150.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -127.41 149.92 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.2 p -76.45 -9.29 58.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -75.12 -12.69 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 110.32 -17.73 28.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -163.74 157.29 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 162' ' ' ASN . 50.1 p30 -109.51 33.54 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.0 m -74.49 -15.47 60.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -96.55 9.01 66.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 173' ' ' PRO . 50.5 mm -94.66 126.62 46.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 172' ' ' ILE . 78.3 Cg_exo -55.26 149.36 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.76 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.5 p -68.33 -21.11 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -115.37 -24.44 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -75.98 133.99 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p -159.57 158.38 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -97.65 138.53 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -146.12 161.01 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.3 93.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.63 30.6 76.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.32 -23.01 16.74 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 74.81 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.427 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -112.94 -107.22 2.83 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -82.11 95.27 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.406 HG12 ' HB3' ' A' ' 169' ' ' ASN . 33.8 m -127.99 161.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -80.49 -169.35 2.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.7 p -67.9 -22.62 65.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -101.28 8.7 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 80.78 12.61 82.57 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -85.73 117.18 24.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.406 ' HB3' HG12 ' A' ' 163' ' ' VAL . 43.2 p30 -117.84 9.44 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 63.2 m -92.53 -18.65 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.62 -13.93 66.52 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 173' ' ' PRO . 97.8 mt -80.52 135.22 53.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 172' ' ' ILE . 94.2 Cg_exo -52.15 146.84 29.34 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.148 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.69 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -172.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -76.62 -7.92 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -117.85 -41.96 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 -64.8 153.99 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p -161.74 165.73 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.598 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.481 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.481 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -89.77 114.34 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -133.35 96.59 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -100.71 122.48 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 22.94 76.91 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.34 57.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.44 130.32 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 147.13 -169.15 28.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -82.65 112.31 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.209 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.78 170.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -77.41 153.95 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -65.07 -17.05 64.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -92.32 1.9 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 76.83 38.87 30.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -168.51 102.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -102.65 37.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 67.9 m -74.76 -29.33 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.76 -6.43 79.94 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.99 126.38 49.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.54 144.49 62.96 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.85 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -69.99 -17.42 63.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -102.82 3.35 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -141.3 179.11 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p -149.34 159.38 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.596 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -101.06 132.54 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -145.63 148.17 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.9 mt -118.59 113.84 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.4 17.78 79.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.29 53.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.83 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -171.99 -179.0 42.65 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -85.34 72.06 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.98 164.38 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 175.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -111.83 173.93 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 91.2 p -77.96 -24.18 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -103.04 -4.82 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -154.39 115.77 0.69 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -159.21 -172.18 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.259 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 75.53 169.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.6 m -71.26 -1.21 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.209 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.08 -26.23 60.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 97.8 mt -72.88 132.47 82.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -49.13 133.94 29.69 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.694 1.596 . . . . 0.0 111.195 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.19 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.9 p -69.03 -17.0 63.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -104.02 5.27 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -173.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -148.25 166.66 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p -164.37 156.24 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -105.34 143.0 34.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -129.4 88.3 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -72.05 116.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.26 11.58 82.01 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.02 -9.48 70.26 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 131.75 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' N ' ' HD1' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.58 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 102' ' ' ARG . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -83.37 162.18 39.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -103.86 9.69 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.343 . . . . 0.0 111.165 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.38 -178.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -65.63 151.73 45.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.21 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.8 p -67.47 -18.79 65.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -97.15 9.28 42.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -130.03 -165.43 11.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.36 176.83 11.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 111.186 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -100.78 -0.93 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 54.0 m -65.47 -25.89 67.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.9 4.33 85.68 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 45.5 mm -101.03 128.87 28.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.217 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 142.77 59.26 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.695 1.596 . . . . 0.0 111.227 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.67 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.0 p -74.14 -20.44 60.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -109.83 -14.74 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -74.93 143.45 43.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p -140.5 151.76 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.564 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -82.03 122.62 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -128.69 142.04 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.15 114.43 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 172.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.82 9.84 83.95 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.7 -18.05 55.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.5 139.38 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.28 40.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -82.6 78.65 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 -176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 34.1 m -70.91 154.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.88 -176.77 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -66.82 -15.04 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.45 -13.44 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 104.17 -6.23 46.48 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -150.75 177.82 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.184 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 57.2 p30 -125.48 7.69 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.08 -11.47 58.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -79.78 -6.48 89.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.56 137.38 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.98 144.91 20.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.693 1.595 . . . . 0.0 111.189 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.28 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.9 p -67.95 -19.85 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -108.39 -38.67 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -138.81 147.35 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p -154.17 166.38 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.652 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.425 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -113.1 118.19 34.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.415 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 195' ' ' LEU . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 69' ' ' LEU . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -124.86 87.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 92.7 mt -89.3 119.55 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.85 58.22 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 23.71 55.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.41 149.46 26.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.78 -171.42 42.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -80.75 81.77 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.214 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 30.6 m -73.75 155.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -83.7 -169.56 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 85.9 p -68.87 -19.02 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -95.5 4.5 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 73.15 39.11 53.84 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 168' ' ' ASN . 23.5 p30 -172.27 129.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.173 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -105.44 32.2 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.5 m -67.69 -30.77 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.41 -5.28 85.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 50.4 mm -75.87 132.17 74.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.212 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.78 143.43 38.42 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.733 1.622 . . . . 0.0 111.197 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.75 -31.06 67.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.8 p -68.82 -20.02 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -113.24 -21.96 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -74.76 138.62 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p -159.27 169.84 23.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.591 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' TYR . . . . . 0.412 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' LEU . . . . . 0.412 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' A' ' 23' ' ' VAL . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -76.21 130.73 38.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -124.26 138.68 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -124.56 112.49 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.29 9.84 85.45 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.17 -25.46 27.12 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.18 142.15 29.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 169' ' ' ASN . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.03 -179.23 40.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -82.47 66.7 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 129.03 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -97.27 -177.09 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.5 p -67.2 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.3 -12.78 60.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.38 62.36 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -164.47 -171.32 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 -177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 137' ' ' CYS . 75.5 m-20 -99.9 15.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 90.4 m -100.47 148.12 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.98 56.42 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 173' ' ' PRO . 20.9 tt -143.41 138.38 15.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 173' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 172' ' ' ILE . 96.7 Cg_exo -53.38 146.4 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.19 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.31 65.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.7 p -65.65 -20.38 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -109.12 -18.99 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.21 134.42 54.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t -154.24 145.01 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 185' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.775 0.321 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.653 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.782 0.325 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.762 0.315 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.798 0.332 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.768 0.318 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.847 0.356 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.427 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.868 0.366 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.598 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.481 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.481 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.322 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.818 0.342 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.596 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.827 0.346 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.81 0.338 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 CA--C 1.522 -0.099 0 CA-C-O 120.797 0.332 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.441 ' N ' ' HD1' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.58 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 102' ' ' ARG . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.79 0.328 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.564 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.792 0.329 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.652 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.425 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.802 0.334 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.415 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 195' ' ' LEU . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 69' ' ' LEU . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.78 0.324 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.591 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . 0.412 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . 0.412 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' A' ' 23' ' ' VAL . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.816 0.341 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -96.17 136.19 36.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.231 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.3 mm -99.27 107.43 20.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -178.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 92.8 t -127.17 132.33 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 178.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.24 117.82 12.68 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 121.72 -14.09 9.21 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 79.9 mt -74.84 127.62 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.814 0.34 . . . . 0.0 111.183 174.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -68.35 148.81 50.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 -175.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 17.2 p90 -150.72 155.43 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.204 170.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -115.62 155.13 28.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.176 -178.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.0 mp -117.24 116.39 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -177.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.47 30.91 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 55.0 35.11 23.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.65 0.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -176.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 38.2 t -88.21 146.11 25.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.202 -172.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.4 mt -110.69 116.25 30.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 99.5 m -138.41 -176.45 4.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.233 179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.6 t -141.94 148.61 38.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.229 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.28 129.39 26.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.215 -176.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -84.9 -80.17 1.1 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -135.92 144.7 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.775 0.322 . . . . 0.0 111.199 -175.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.8 m -80.44 120.59 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.213 175.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.66 164.16 31.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.235 -176.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.3 t -147.94 149.73 32.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.221 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.9 ttp180 -131.79 95.1 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 176.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.11 -104.88 2.17 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.09 2.75 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.773 0.321 . . . . 0.0 111.182 174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.0 m -94.86 125.98 39.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.193 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -103.42 147.44 27.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 178.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.402 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -168.83 -163.49 22.94 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -149.98 156.76 42.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 111.237 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.5 t -91.06 139.01 18.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.217 -177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -151.48 -169.06 3.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.49 159.35 18.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.231 -176.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -79.02 -38.37 22.95 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -173.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.74 -5.51 43.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.736 0.303 . . . . 0.0 111.14 -175.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 64.3 m -63.04 -32.01 73.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.194 177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.3 163.46 23.37 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.6 t -95.42 -174.7 3.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.248 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -64.21 134.84 28.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 -175.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.8 t30 75.02 18.83 2.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -80.7 145.59 31.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.8 m -85.7 117.52 24.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 -173.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.75 132.82 42.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -125.65 86.94 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -175.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 93.1 mt -74.17 120.93 24.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.18 177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.13 13.76 82.58 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.02 29.56 37.6 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -147.81 142.37 26.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.8 0.333 . . . . 0.0 111.219 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.44 123.03 17.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -174.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 m -121.07 -23.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.176 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.73 -168.69 41.8 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.2 p -134.23 165.75 24.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.822 0.344 . . . . 0.0 111.186 -176.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -70.2 128.32 35.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.217 -179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.83 -46.63 8.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.192 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.61 159.34 38.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.167 -177.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.37 155.93 11.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.213 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 85.0 t -122.67 116.51 49.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.187 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 37.9 p90 -170.73 153.05 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.228 167.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.406 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 58.6 Cg_endo -80.93 -176.29 17.55 Favored 'Cis proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.653 -2.228 . . . . 0.0 111.204 -2.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.35 -36.07 4.65 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.86 -172.26 3.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.352 . . . . 0.0 111.175 172.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -143.53 65.88 1.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.166 173.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -134.49 152.21 51.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.267 -173.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.19 152.82 26.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 177.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 25.8 t90 -122.3 119.61 31.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 172.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.5 t -98.01 124.02 50.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.214 -177.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -83.7 122.56 28.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.188 -179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 94.0 mt -99.04 159.76 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -76.21 166.02 24.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.188 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -68.86 -16.41 63.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.246 -173.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.18 -11.2 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -87.54 136.03 33.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -177.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 94.8 m -103.42 121.6 43.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 93.8 mt -85.3 115.96 23.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.182 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.5 mt -111.28 136.7 20.91 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -78.41 62.51 8.19 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.756 1.638 . . . . 0.0 111.167 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -133.86 146.46 50.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.186 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 97.4 t -121.22 130.05 75.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.171 166.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.94 127.4 32.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -174.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -134.99 73.09 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 175.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -118.96 9.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -175.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.7 p -85.27 -12.63 52.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.764 0.316 . . . . 0.0 111.19 175.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -108.07 -177.87 3.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.194 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -135.74 154.03 51.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 177.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.5 t -102.36 118.01 48.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.22 174.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 89.9 m -67.54 127.93 34.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.246 -179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 96.3 t -77.9 120.12 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -110.49 -32.4 6.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 -175.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -165.54 -164.15 20.39 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.0 p -143.66 35.91 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.833 0.349 . . . . 0.0 111.246 -177.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.9 p -81.93 156.95 24.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -88.91 132.03 34.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.237 -174.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.99 145.61 35.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.178 175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.96 152.04 44.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.184 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 76.6 t -62.71 127.59 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.47 -17.8 39.34 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -174.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.54 147.52 43.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 111.178 179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.09 129.03 34.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 34.7 m -131.7 153.77 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 83.6 m -124.33 164.14 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.236 178.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -148.19 161.49 41.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.6 t -123.21 115.21 21.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 174.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -105.78 -135.99 8.35 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -121.08 -68.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.169 -178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 94.1 m -69.75 -45.09 68.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.208 -173.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 74.5 p -95.15 -12.08 27.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 -176.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.33 -122.28 12.42 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 173.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 48.4 t80 -96.37 110.47 22.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.183 -172.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -125.91 149.9 48.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 70.8 m -127.84 156.34 42.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 -177.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.58 -162.09 19.97 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.9 p -127.62 153.78 46.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.4 mt -83.14 129.99 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 -178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 67.7 p -108.63 -29.57 8.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.17 163.45 31.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 -178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -147.83 169.36 19.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.171 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 62.22 45.58 6.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 -176.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.8 t -99.03 135.32 34.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.213 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.9 m -107.9 119.96 40.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 170.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -118.76 145.06 45.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.264 -176.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t-20 -100.99 106.17 17.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -96.07 171.51 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.1 -24.65 67.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.233 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -101.65 12.02 37.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.204 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 119.28 171.78 14.99 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -80.24 150.76 29.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.768 0.318 . . . . 0.0 111.194 -178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.0 t -127.24 124.18 63.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 84.4 mtm180 -98.04 154.21 17.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.183 -176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.73 37.87 21.83 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 169.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 96.0 mt -93.55 148.04 22.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 111.238 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.7 m -115.94 129.47 56.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.191 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -93.06 130.92 38.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.213 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -135.86 174.19 21.49 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 -98.51 3.86 48.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 111.187 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -67.16 139.62 57.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.206 177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.452 ' HA ' ' HB3' ' A' ' 170' ' ' CYS . 53.0 t -62.68 145.05 55.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -174.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 45.5 ttm -127.35 134.3 49.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.208 176.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -132.48 175.26 20.01 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -81.11 133.77 35.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -176.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.69 -5.53 60.14 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -85.74 3.1 42.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.788 0.328 . . . . 0.0 111.223 -177.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.2 m -53.83 132.36 41.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.21 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 89.18 1.31 79.2 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -45.85 135.13 8.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 43.4 t -90.1 104.86 17.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.764 0.316 . . . . 0.0 111.185 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.2 m95 -86.31 126.72 34.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.0 tt -151.95 146.3 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 -176.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 32.7 p -86.16 170.75 11.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.7 p -69.19 -17.41 63.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.185 175.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.28 2.78 49.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.169 176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 79.84 28.03 51.86 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -99.32 113.13 25.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 111.208 -178.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.7 132.14 50.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 86.7 mm-40 -104.87 -47.41 4.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 165.55 -171.41 40.77 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.5 m -121.03 146.7 25.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.798 0.333 . . . . 0.0 111.158 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 53.4 ttm -64.73 130.61 44.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 -172.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 46.7 t -92.51 -54.67 3.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.207 176.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 139.21 -176.54 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -175.02 -164.35 29.59 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -80.02 70.11 6.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.757 0.313 . . . . 0.0 111.196 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.452 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 96.9 t -84.57 133.25 29.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -176.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -87.63 171.57 10.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.256 -169.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 94.4 p -71.58 -9.18 57.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -71.9 -12.6 61.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.175 176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 111.2 -14.84 28.18 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 176.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 20.2 p30 -150.11 177.93 9.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.803 0.335 . . . . 0.0 111.177 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 52.9 p-10 -125.79 3.28 7.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 170.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 137' ' ' CYS . 23.7 p -84.39 -10.74 57.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 -176.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.5 -16.7 69.88 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 164.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 46.6 mm -93.02 137.76 23.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 175.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -49.94 144.86 20.31 Favored 'Trans proline' 0 N--CA 1.458 -0.559 0 C-N-CA 121.711 1.607 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.45 -19.57 65.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.188 -169.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.8 p -68.51 -19.61 64.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -108.94 -38.65 5.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 -176.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -133.83 151.91 51.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.218 -176.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 83.3 p -156.42 -177.13 6.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 -178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 54.9 p -116.87 137.84 51.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 84.8 mt -123.63 139.05 54.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.254 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.2 p90 -143.79 153.97 42.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.187 175.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -97.23 133.58 41.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.221 -172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 40.0 ttm105 -56.84 141.41 44.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.23 -175.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.8 tp -70.85 -44.08 67.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.245 -178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.653 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 83.2 mt-30 -53.0 -47.88 93.99 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.161 -164.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.653 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 96.5 Cg_exo -49.79 -43.29 41.17 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.736 1.624 . . . . 0.0 111.176 175.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.2 mt -65.44 -43.08 94.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.202 -176.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.88 -35.52 80.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.191 179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.5 p -81.06 -22.6 39.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.164 177.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -68.38 -43.0 78.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 -178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.486 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 50.0 m-85 -110.87 -4.56 15.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.92 48.44 16.25 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.486 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 51.0 mt -101.3 148.16 25.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.79 0.329 . . . . 0.0 111.234 -171.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.2 t -105.86 123.89 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.238 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 54.7 tp -73.82 128.17 34.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 98.2 t -73.72 119.36 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.6 p -122.87 168.16 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.164 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.079 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.872 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.782 0.325 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 29.7 p30 -152.15 -178.72 6.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.226 178.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 20.3 tt -145.73 133.63 15.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.196 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.2 t -131.23 138.85 52.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 175.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -62.22 139.71 46.13 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.58 -18.51 35.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 98.3 mt -75.1 128.03 36.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.826 0.346 . . . . 0.0 111.165 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' ' 18' ' ' SER . 84.7 tt0 -74.75 140.53 44.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -178.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.7 p90 -134.86 155.25 50.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.239 176.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.5 t -98.91 147.71 24.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 -176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -117.78 110.51 30.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.202 176.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 56.15 30.05 15.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.193 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 55.89 31.36 17.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.49 -63.73 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.192 -177.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.466 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 17.9 t -89.11 146.25 24.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.206 -175.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -112.03 142.07 44.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -162.18 145.01 11.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -175.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 8' ' ' GLU . 58.0 m -92.76 143.22 26.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 179.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -65.29 132.53 31.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.219 173.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.36 -77.49 1.11 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -159.38 154.87 25.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 111.177 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -83.79 143.77 29.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.205 -175.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.8 m -140.21 164.32 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.187 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -119.75 165.27 14.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 172.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -160.01 85.82 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.192 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.3 -115.34 5.65 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -173.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.57 -1.38 50.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.831 0.348 . . . . 0.0 111.207 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.8 m -94.95 128.09 41.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -98.72 150.69 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.189 169.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . -170.8 -168.85 33.13 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 178.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -147.68 158.88 44.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.793 0.33 . . . . 0.0 111.204 171.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 71.7 t -97.81 138.9 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.21 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.9 t -141.6 -162.24 1.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -177.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -101.08 144.22 30.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -59.92 -43.7 97.83 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -73.69 -6.92 49.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -170.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.47 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 70.1 m -69.51 -31.61 69.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.168 -178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 179.71 179.09 48.76 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.2 t -127.01 -176.21 3.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 0.0 111.207 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.91 134.42 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 -170.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 39.0 t30 72.52 19.36 4.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.29 143.41 31.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.188 170.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 93.7 m -80.41 119.22 22.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 -175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -97.57 130.12 44.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -127.53 87.93 2.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.21 -178.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 98.9 mt -71.83 115.39 11.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.28 12.16 81.93 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.13 -10.07 67.71 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.204 -0.759 . . . . 0.0 111.204 -177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.58 133.41 38.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.796 0.331 . . . . 0.0 111.207 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.5 t -68.78 120.65 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.19 -22.29 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.62 -154.8 25.86 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.1 p -134.37 158.68 43.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 111.199 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -61.81 136.22 57.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.21 -52.19 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.2 -177.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -161.92 162.52 29.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 161.01 35.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.207 178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.78 108.33 20.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.192 -175.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 60' ' ' PRO . 36.1 p90 -168.04 152.33 6.17 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.166 168.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.425 ' HA ' ' HB2' ' A' ' 59' ' ' PHE . 63.1 Cg_endo -81.16 -178.46 22.4 Favored 'Cis proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.688 -2.213 . . . . 0.0 111.164 -0.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.25 -15.25 50.89 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -168.37 -169.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.78 0.324 . . . . 0.0 111.199 176.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -137.68 43.05 2.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.18 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -98.11 149.96 21.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.248 -172.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -172.35 160.11 4.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 9.5 p-90 -154.4 159.26 41.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 168.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.0 t -121.81 132.91 69.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -168.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.2 t -78.95 120.63 23.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.454 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 91.0 mt -103.02 156.04 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.196 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.9 t -61.48 143.14 56.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.167 169.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.3 p -67.34 -18.77 65.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.04 -24.63 64.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -80.1 129.08 34.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 95.1 m -82.03 133.03 35.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.8 mt -93.14 108.79 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.218 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.6 mt -94.1 126.65 47.97 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 -176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' HB3' HG12 ' A' ' 196' ' ' VAL . 87.4 Cg_endo -78.41 66.84 8.41 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.728 1.619 . . . . 0.0 111.208 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -162.41 156.66 21.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.9 m -123.61 155.54 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 173.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.4 134.47 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 -176.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 59.3 t-20 -134.36 74.14 1.52 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 172.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.51 -111.53 4.04 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.1 p -89.0 -13.78 38.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.45 -166.71 1.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.2 -175.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -139.72 157.75 45.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.186 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.2 t -117.15 122.16 69.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.188 175.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 93.2 m -69.61 134.37 48.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 89.5 t -81.12 124.09 38.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -114.6 21.9 14.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.193 -172.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 119.07 -166.0 13.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 177.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 55.5 p -137.87 74.96 1.5 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.193 -175.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.9 m -68.52 136.25 52.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.23 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -52.25 124.67 13.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.229 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -79.97 149.24 30.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -154.1 161.04 42.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.199 -177.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.08 129.09 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.198 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 106.16 -19.53 37.35 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.31 146.12 41.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.36 . . . . 0.0 111.184 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.49 130.46 35.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.6 m -134.13 150.52 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . . . . . . . . . 75.4 m -129.17 159.76 35.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.225 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.8 mtp-105 -113.96 150.55 33.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.241 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 39.2 t -129.08 104.9 7.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -141.96 -151.83 5.6 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -125.2 -44.1 1.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.338 . . . . 0.0 111.181 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 87.0 m -65.37 -47.64 75.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.229 -176.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.4 p -96.34 -16.69 21.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.2 177.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.31 -104.93 2.3 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -129.97 112.28 13.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.794 0.331 . . . . 0.0 111.159 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -123.37 152.47 41.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.241 -177.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . . . . . . . . . 86.8 m -133.83 151.59 51.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.18 -160.04 15.06 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 176.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 71.9 p -128.88 161.94 28.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.839 0.352 . . . . 0.0 111.229 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 90.7 mt -89.86 129.55 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.0 p -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -143.93 157.8 44.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -178.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -144.98 161.7 38.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.224 -178.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 58.55 45.35 16.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.8 t -94.05 137.12 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.191 -175.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.6 m -106.17 129.25 54.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 171.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -138.02 151.47 47.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -95.53 121.59 37.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -113.33 171.97 7.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.193 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.31 -30.1 68.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -99.8 19.07 16.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -178.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 109.86 -178.43 20.28 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -73.56 146.16 44.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.874 0.369 . . . . 0.0 111.168 -177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 57.5 t -126.92 132.47 69.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -117.3 154.85 30.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 -170.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.88 37.34 19.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 83.9 mt -99.05 152.47 19.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.8 0.334 . . . . 0.0 111.219 -176.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 80.8 p -121.29 148.53 44.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 175.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -105.43 118.73 37.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -173.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -107.67 162.3 13.3 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -93.77 -4.89 49.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.809 0.337 . . . . 0.0 111.222 179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.68 136.23 56.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 42.5 t -64.79 137.94 58.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -125.59 165.76 17.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.197 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -156.91 175.6 34.39 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -75.18 133.2 41.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.811 0.339 . . . . 0.0 111.188 -173.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 104.1 -20.34 40.9 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 176.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -88.22 -4.17 58.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.834 0.349 . . . . 0.0 111.255 -177.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -58.87 136.16 57.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 177.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 97.2 -12.92 65.16 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -174.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.35 152.92 52.35 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 178.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 92.6 p -88.76 161.49 16.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.785 0.326 . . . . 0.0 111.184 -174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 29.3 m95 -113.18 141.66 46.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.2 pt -132.42 167.32 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.203 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.6 p -83.02 169.58 15.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 173.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -70.61 -24.13 62.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -84.02 -22.4 31.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.237 178.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 108.87 84.65 1.62 Allowed Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -169.67 134.91 1.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.8 0.333 . . . . 0.0 111.158 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -63.82 149.48 46.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 -172.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -131.02 -57.11 1.03 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.26 16.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -173.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.84 139.56 27.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.318 . . . . 0.0 111.19 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.8 ttt -67.73 122.33 17.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 -171.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.5 p -97.9 -30.22 12.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.182 174.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 130.36 -135.77 8.51 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 133.63 -140.0 11.42 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -80.77 75.79 7.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 0.0 111.184 -178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 99.1 t -85.6 120.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.144 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -50.48 151.43 2.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 93.2 p -61.48 -23.04 65.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -92.24 -8.17 46.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.231 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 75.74 41.14 29.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -152.63 99.82 2.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.761 0.315 . . . . 0.0 111.221 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -97.1 10.77 38.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.253 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 96.2 m -76.55 -14.18 60.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.183 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -101.72 9.36 56.94 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 175.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 85.9 mt -114.6 125.41 29.17 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 111.201 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -54.64 144.37 64.58 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.689 1.592 . . . . 0.0 111.195 176.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.0 69.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.8 p -70.6 -16.18 62.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -176.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -102.89 4.93 38.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.234 -174.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 48.2 ptt85 -143.44 173.68 11.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.1 t -150.58 114.8 5.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 41.0 t -105.5 105.07 14.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.177 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.5 mt -103.79 139.75 38.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -169.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -152.03 154.14 35.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.245 177.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -106.73 145.3 32.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.199 -170.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -63.27 145.49 55.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 33.5 mt -80.96 -26.52 36.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.222 -173.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.522 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 87.5 mt-30 -57.88 -50.25 89.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.156 -170.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.522 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 85.0 Cg_endo -77.66 -18.88 13.24 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.729 1.619 . . . . 0.0 111.21 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 92.9 mt -72.04 -47.18 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.33 -37.99 85.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 83.8 p -70.39 -12.77 61.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.41 -35.19 79.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.251 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -129.38 -9.18 4.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.181 -174.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 84.46 39.36 9.05 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 82.9 mt -84.3 144.78 28.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.344 . . . . 0.0 111.23 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.3 t -110.91 118.03 34.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 61.4 tp -61.54 124.49 20.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.236 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.407 HG12 ' HB3' ' A' ' 77' ' ' PRO . 87.1 t -77.0 115.03 18.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 175.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 50.4 p -123.68 167.15 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 179.503 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.817 0.341 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -97.1 130.69 44.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.187 178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 78.8 mt -111.74 120.77 62.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.222 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.9 m -126.11 166.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.261 173.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.92 136.26 48.76 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 104.17 -17.25 48.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.3 mm -66.62 133.45 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -84.07 143.94 29.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 46' ' ' ILE . 24.8 p90 -141.16 158.65 43.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -103.52 147.25 27.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.231 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 5.3 mp -114.28 111.25 35.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 175.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 54.27 32.87 17.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 55.38 35.34 24.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.33 -64.34 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -178.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.417 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 30.0 t -93.21 148.76 21.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.231 -174.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.0 mt -116.86 144.43 44.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.202 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -164.27 156.33 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 -173.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.7 m -97.41 162.06 13.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 176.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -104.76 155.61 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.173 -176.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.35 -108.03 2.72 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -115.22 152.46 32.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.316 . . . . 0.0 111.201 -171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 68.0 m -72.16 128.91 37.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.212 172.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 33.4 m -138.35 166.14 23.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.194 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.5 t -146.27 149.87 34.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.231 176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -128.01 93.77 3.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.96 -115.02 5.58 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -174.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -95.47 -3.03 47.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.773 0.321 . . . . 0.0 111.226 176.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.5 m -93.87 125.69 38.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.192 -175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.03 150.26 25.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.193 170.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.38 -166.48 22.28 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -159.97 145.6 15.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.159 -175.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.2 t -88.88 134.94 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 t -150.89 -168.49 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.191 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.435 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -100.31 160.95 13.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.65 -30.38 24.25 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 -171.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 41.5 p-80 -75.23 -15.94 60.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.808 0.337 . . . . 0.0 111.198 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.435 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 65.8 m -71.39 -43.17 67.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.207 -173.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.51 172.97 31.64 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.6 p -106.99 168.96 8.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 111.181 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.52 140.9 18.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 -179.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 65.27 23.42 12.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -89.41 153.44 20.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 172.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -81.2 118.27 22.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.183 -178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.55 112.53 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 177.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -106.3 81.63 1.64 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 -179.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' HA ' ' CB ' ' A' ' 9' ' ' TYR . 91.5 mt -80.62 117.8 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 -179.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.41 10.73 73.3 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -175.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.57 43.73 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -149.94 144.3 25.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.796 0.332 . . . . 0.0 111.193 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.8 t -67.38 118.56 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.235 -176.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -119.37 -19.48 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.192 -178.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.99 -168.75 41.48 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 63.7 p -134.78 167.12 21.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.786 0.327 . . . . 0.0 111.238 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -72.66 112.76 8.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.37 -40.0 67.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 178.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -165.33 167.19 18.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -150.5 144.76 25.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.181 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 77.8 t -116.34 102.43 13.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 171.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -176.76 131.24 0.36 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 -172.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -82.13 -155.91 1.17 Allowed 'Cis proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.68 -2.217 . . . . 0.0 111.201 2.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 94.6 -71.13 1.14 Allowed Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -106.83 -176.92 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.191 158.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -135.53 76.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 175.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.89 160.39 43.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 175.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -153.0 158.25 41.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 18.4 t90 -120.06 115.6 24.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.6 t -96.58 126.66 49.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.4 t -90.24 123.99 34.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.196 177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.8 mt -103.97 158.66 16.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -72.39 157.5 37.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 88.3 p -68.57 -21.88 64.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.51 -18.33 61.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -80.02 130.28 35.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.17 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.7 m -84.77 130.26 34.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.212 176.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 96.0 mt -86.17 139.9 30.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 174.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 88.1 mt -130.43 123.21 20.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.228 -173.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.54 55.12 5.03 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.708 1.605 . . . . 0.0 111.172 174.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -136.77 141.58 42.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 -171.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.24 132.67 71.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.234 174.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.15 124.4 19.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.17 -175.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.2 t-20 -134.72 74.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.217 176.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -111.7 4.11 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 95.7 p -90.73 -4.33 56.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.778 0.323 . . . . 0.0 111.228 -177.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.7 t -134.92 -165.53 1.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.204 -177.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -136.33 156.96 47.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 83.7 t -103.66 124.03 57.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.191 173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.3 m -78.59 130.14 35.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.205 178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.81 119.03 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -90.2 -39.42 12.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.246 -174.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.93 -161.58 21.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.6 p -136.18 69.79 1.42 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 0.0 111.198 -177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 51.5 p -106.14 174.96 5.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -118.06 153.09 34.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -104.94 162.81 13.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 177.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -117.77 174.47 6.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 -178.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.08 123.79 22.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.75 -11.2 49.6 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -175.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.25 148.04 39.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.206 -178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -93.4 116.58 29.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 32.7 m -131.9 162.94 38.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.196 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.9 m -126.3 176.54 7.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.211 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -152.83 168.78 24.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.228 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.8 t -138.73 120.71 15.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.179 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 172.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.4 tpt85 -99.63 -43.45 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 111.219 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.8 m -73.5 -48.45 33.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -171.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 81.1 p -100.26 -12.51 19.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 74.08 -130.26 12.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -93.64 111.03 22.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.745 0.307 . . . . 0.0 111.233 -174.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 84.6 mm-40 -124.32 153.78 41.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 -177.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 81.0 m -126.5 155.56 42.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.207 -179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.98 -161.42 17.65 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 178.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.8 p -128.65 164.0 23.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.775 0.322 . . . . 0.0 111.2 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 84.4 mt -96.97 123.16 49.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 75.8 p -102.63 -26.42 13.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 -170.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -163.52 -176.03 4.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.176 -177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -160.11 168.16 26.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 61.08 56.64 2.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.196 -176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -107.46 138.53 33.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 -177.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -97.23 127.74 43.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -116.9 144.27 44.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -99.74 122.45 42.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 -177.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -115.68 166.43 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.205 175.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -59.97 -35.88 75.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -78.81 -37.43 40.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 168.82 -174.47 43.42 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -87.81 146.77 25.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 111.207 -175.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 85.7 t -121.26 127.38 75.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 174.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -117.47 140.9 49.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 102.27 32.24 4.99 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 175.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.1 mt -91.12 147.37 23.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.725 0.298 . . . . 0.0 111.23 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 87.4 m -95.31 135.42 36.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.429 ' HA ' ' O ' ' A' ' 179' ' ' SER . 34.4 tt0 -107.43 128.27 54.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -170.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.42 -165.41 12.18 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 48.7 p-10 -136.56 28.82 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.759 0.314 . . . . 0.0 111.15 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 142.97 43.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 53.2 t -69.76 142.17 53.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 177.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 19.7 ptp -154.05 161.88 41.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.2 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -137.08 176.23 20.61 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.4 132.13 50.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.82 0.343 . . . . 0.0 111.185 -179.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 110.67 -24.26 17.71 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -71.09 -24.56 62.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.187 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 48.1 t -57.89 134.85 56.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.16 -177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.0 -10.04 63.81 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -173.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.74 176.36 28.99 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.4 p -99.17 157.78 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 111.193 -173.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 63.1 m95 -122.45 137.31 54.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 171.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 74.2 mt -129.34 134.92 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 -174.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.6 p -72.2 171.52 11.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.182 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.9 p -66.5 -17.69 64.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.211 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -83.99 -10.54 57.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.224 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 87.29 29.82 21.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -109.08 151.02 26.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.766 0.317 . . . . 0.0 111.22 -175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -67.94 91.25 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.208 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 21.3 tm0? -67.21 -61.11 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -173.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -172.31 -166.29 30.7 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -172.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 92.1 t -133.58 137.57 52.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 -174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.3 ttt -68.43 129.14 39.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -174.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.2 p -102.29 -28.99 11.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 178.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 167.5 -140.69 6.4 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 132.62 -168.02 22.92 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . 0.436 ' O ' ' ND2' ' A' ' 169' ' ' ASN . 57.7 t-20 -80.41 71.81 7.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 111.155 -177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 36.0 m -80.87 150.45 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 178.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -127.41 149.92 49.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.2 p -76.45 -9.29 58.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.278 -179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -75.12 -12.69 60.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 110.32 -17.73 28.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 17.4 p30 -163.74 157.29 18.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.792 0.329 . . . . 0.0 111.175 177.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 162' ' ' ASN . 50.1 p30 -109.51 33.54 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.181 174.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 75.0 m -74.49 -15.47 60.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.186 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -96.55 9.01 66.64 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 173' ' ' PRO . 50.5 mm -94.66 126.62 46.81 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 120.787 0.327 . . . . 0.0 111.168 179.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 172' ' ' ILE . 78.3 Cg_exo -55.26 149.36 45.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.75 -22.76 66.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 -175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.5 p -68.33 -21.11 64.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.161 178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -115.37 -24.44 8.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 37.0 ttp-105 -75.98 133.99 40.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.217 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.8 p -159.57 158.38 31.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 93.7 p -126.61 150.11 49.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.184 175.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -126.79 131.47 51.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -159.33 162.59 35.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.179 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -114.54 158.07 22.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -70.59 143.89 51.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.21 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 48.0 tp -72.17 -34.6 68.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.216 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.549 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 88.5 mt-30 -54.78 -52.5 69.91 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.195 -171.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.549 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 72.4 Cg_endo -74.86 -16.56 20.52 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 -177.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 90.9 mt -74.08 -42.75 52.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -65.86 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 82.5 p -69.05 -16.89 63.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.234 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -64.09 -34.61 78.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.477 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 49.0 m-85 -120.77 -5.35 9.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.183 -175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.36 44.02 9.04 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.477 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 59.4 mt -94.58 146.25 24.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 111.156 -171.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 34.9 t -106.91 124.99 50.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.194 173.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -73.72 128.84 36.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.193 -177.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 89.2 t -77.21 117.98 23.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.247 173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 47.6 p -119.42 166.91 12.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.025 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 179.601 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.834 0.35 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -97.65 138.53 34.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.78 124.06 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.6 t -117.85 136.51 54.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 -177.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.69 141.46 45.5 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.93 -18.79 33.77 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -71.77 133.37 31.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.796 0.332 . . . . 0.0 111.192 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -83.63 134.95 34.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.215 -177.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -122.7 151.61 41.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.18 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.4 t -84.13 128.09 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.258 173.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 37.7 mm -103.3 101.74 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.209 -170.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 51.7 t30 57.56 30.73 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.175 172.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 54.0 26.05 6.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.196 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.64 -51.05 2.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.209 -175.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.7 t -140.96 -167.9 2.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 -176.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.5 mt -130.88 143.37 50.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.7 t -161.43 136.09 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 -174.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.4 m -92.0 159.13 15.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.228 177.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.1 t -82.73 134.14 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.161 175.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.94 -78.31 1.11 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -129.85 148.61 51.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.848 0.356 . . . . 0.0 111.185 -172.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.4 m -87.61 124.12 33.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.219 171.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.456 HG21 HD13 ' A' ' 193' ' ' LEU . 33.6 m -132.35 162.25 40.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.233 -176.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.3 p -123.4 152.13 41.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 173.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.0 ttt-85 -135.36 69.13 1.44 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.217 177.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.09 -111.75 3.74 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -177.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.58 -12.72 47.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.757 0.313 . . . . 0.0 111.158 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -111.83 127.04 55.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.187 -177.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -100.08 163.64 12.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 175.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -174.39 -165.7 31.3 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -135.38 159.63 40.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.798 0.332 . . . . 0.0 111.233 -176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.5 t -104.32 132.7 50.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 171.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -153.94 -169.74 3.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.196 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.451 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -81.8 155.09 25.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -173.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -82.45 -38.56 12.25 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -171.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -73.29 -3.72 28.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.849 0.357 . . . . 0.0 111.256 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.451 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 68.9 m -62.88 -32.9 74.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.194 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 175.03 -178.52 46.74 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -112.76 -167.33 1.17 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.835 0.35 . . . . 0.0 111.176 -176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.92 131.8 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 -175.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 36.6 t30 75.88 19.62 1.89 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 177.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.18 135.22 44.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.9 m -93.18 117.7 30.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.222 -172.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.88 108.51 20.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -146.12 161.01 41.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 82.9 mt -117.3 93.43 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.221 171.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 66.63 30.6 76.62 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 176.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.32 -23.01 16.74 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -78.15 74.81 4.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.8 p -67.71 139.91 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.236 177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.45 -19.66 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 177.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.74 177.15 44.56 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.1 p -134.8 159.03 42.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 111.204 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.02 97.2 0.84 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.161 -177.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.04 -39.35 93.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.33 165.72 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.62 155.36 7.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.21 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.4 t -124.23 120.41 59.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -171.27 154.33 3.94 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 168.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -79.45 -158.42 1.72 Allowed 'Cis proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.739 -2.192 . . . . 0.0 111.155 -5.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 92.5 -55.16 2.74 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -176.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -121.36 175.62 6.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.344 . . . . 0.0 111.193 169.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -126.3 72.17 1.3 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.227 175.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -128.9 149.49 50.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -156.42 145.41 20.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -123.2 115.87 22.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 175.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 99.7 t -102.31 118.67 49.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.3 t -75.54 129.18 36.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD11 ' HB2' ' A' ' 73' ' ' GLN . 36.7 tp -90.84 127.13 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 -177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 10.9 t -69.01 148.1 50.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 173.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.8 p -67.59 -16.45 64.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.74 -30.86 71.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.417 ' HB2' HD11 ' A' ' 69' ' ' LEU . 93.4 mm-40 -110.83 162.02 15.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.213 -175.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.6 m -125.28 131.22 53.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.209 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.844 HD12 ' O ' ' A' ' 75' ' ' LEU . 2.8 pp -92.05 151.53 20.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.226 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.4 mt -129.52 150.14 74.81 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.221 174.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.427 ' HB3' HG12 ' A' ' 196' ' ' VAL . 98.4 Cg_endo -77.62 61.14 7.4 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 121.727 1.618 . . . . 0.0 111.205 177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -128.18 143.23 51.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 -174.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 98.4 t -115.63 119.3 61.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.208 174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.91 123.58 16.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.212 -174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -133.15 73.16 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.82 -116.23 7.17 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -84.68 -9.13 58.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.795 0.331 . . . . 0.0 111.219 179.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.2 t -125.51 -158.47 0.84 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -177.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -153.29 164.44 38.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.194 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 82.2 t -113.58 132.66 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.3 m -79.77 132.25 36.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.193 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 82.0 t -66.18 128.78 29.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.176 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -93.27 -45.4 7.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -178.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 169.99 -171.67 43.51 Favored Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.5 t -115.76 96.93 5.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.778 0.323 . . . . 0.0 111.209 -175.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.5 t -128.14 -170.24 2.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.195 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.5 tt0 -139.49 124.16 18.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -88.39 175.03 7.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 178.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.52 175.79 5.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.211 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.92 128.56 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.13 -12.23 55.54 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.5 144.57 49.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.857 0.36 . . . . 0.0 111.2 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.7 125.95 30.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.208 177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.5 m -136.91 156.54 34.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 -176.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -135.39 153.84 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.207 178.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.427 ' NH2' ' O ' ' A' ' 137' ' ' CYS . 7.8 tmm_? -136.34 130.41 32.81 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.224 -177.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.7 t -91.15 142.24 27.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -156.29 -157.57 8.38 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -125.69 -46.88 1.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 70.2 m -73.21 -49.81 25.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.141 -176.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.28 -11.4 30.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 171.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.92 -131.51 20.94 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 177.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -99.92 102.67 14.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.348 . . . . 0.0 111.221 -177.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -113.3 150.94 31.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.8 m -126.38 155.34 42.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.32 -155.8 9.8 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.2 p -132.02 155.62 47.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.816 0.341 . . . . 0.0 111.183 179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -79.1 127.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.217 174.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 62.5 p -102.41 -28.25 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.232 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.99 159.14 26.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -130.3 157.67 41.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.229 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 63.03 61.76 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 -179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 94.0 t -111.35 136.29 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 -174.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 88.8 m -99.75 133.52 43.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.176 174.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -140.81 150.93 43.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.248 -177.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -96.78 124.26 40.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -113.08 168.16 9.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -57.66 -35.87 71.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.252 179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -76.16 -32.07 58.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 155.16 -178.96 31.53 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.184 -0.767 . . . . 0.0 111.184 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.95 138.66 50.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.79 0.329 . . . . 0.0 111.18 -179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 96.5 t -124.68 130.98 73.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 175.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -121.9 142.48 50.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.2 -172.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 98.23 29.71 7.39 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 88.2 mt -96.1 153.27 17.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.322 . . . . 0.0 111.186 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 99.1 m -101.28 132.21 46.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.199 177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -102.08 125.17 48.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -124.26 -162.81 11.53 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 174.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 51.2 p-10 -133.93 46.94 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 111.196 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.11 138.39 32.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.214 -175.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.427 ' O ' ' NH2' ' A' ' 102' ' ' ARG . 40.5 t -66.15 111.86 3.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 172.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 17.2 ttt -121.56 134.91 55.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -122.69 -168.29 13.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -71.64 128.91 37.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.752 0.311 . . . . 0.0 111.257 -175.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 89.26 -5.59 84.06 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -80.56 -10.28 59.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.322 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 31.9 t -60.98 135.75 57.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 86.33 2.16 85.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 -174.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -64.97 150.22 51.65 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 41.0 t -68.25 114.43 6.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 0.0 111.187 -176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 15.4 t90 -99.76 113.14 25.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.0 pt -128.94 177.94 5.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 -175.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 25.8 p -96.59 179.96 4.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.182 173.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 84.1 p -67.56 -17.99 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.166 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -86.69 -16.18 37.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 96.7 22.11 19.46 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -176.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -85.84 135.21 33.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 111.254 -178.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -75.75 112.0 11.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 90.3 mm-40 -91.59 -65.74 0.98 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.2 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -171.42 -158.31 15.14 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 29.7 m -126.25 151.95 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.783 0.325 . . . . 0.0 111.181 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 51.1 tpp -65.94 129.68 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.212 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 71.1 m -110.48 -35.15 6.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.156 175.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 99.76 134.09 8.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -112.94 -107.22 2.83 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 -82.11 95.27 7.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.841 0.353 . . . . 0.0 111.158 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.406 HG12 ' HB3' ' A' ' 169' ' ' ASN . 33.8 m -127.99 161.91 35.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.23 -177.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -80.49 -169.35 2.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 86.7 p -67.9 -22.62 65.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 -175.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -101.28 8.7 42.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 -178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 80.78 12.61 82.57 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -85.73 117.18 24.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 111.203 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.406 ' HB3' HG12 ' A' ' 163' ' ' VAL . 43.2 p30 -117.84 9.44 12.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 175.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 63.2 m -92.53 -18.65 22.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.182 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.62 -13.93 66.52 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 173' ' ' PRO . 97.8 mt -80.52 135.22 53.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 0.0 111.183 175.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 172' ' ' ILE . 94.2 Cg_exo -52.15 146.84 29.34 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.717 1.611 . . . . 0.0 111.148 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.21 -29.69 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -172.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -76.62 -7.92 56.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.237 -177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -117.85 -41.96 2.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -175.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.7 ptt85 -64.8 153.99 38.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.205 -175.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 82.4 p -161.74 165.73 27.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.194 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 88.3 p -138.56 149.94 45.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.237 177.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 83.2 mt -122.81 153.14 39.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -134.39 146.33 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -176.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -104.2 130.07 51.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 87.6 mtm180 -68.49 140.64 55.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -171.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.48 -42.02 71.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.598 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 91.6 mt-30 -50.73 -53.03 51.13 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -168.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.598 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 52.7 Cg_endo -68.95 -26.03 31.84 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.686 1.59 . . . . 0.0 111.195 -176.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.99 -41.36 87.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.208 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.52 -34.71 75.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.198 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 85.9 p -82.29 -22.38 35.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 176.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -66.96 -45.11 78.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.481 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 66.2 m-85 -112.81 -3.83 14.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 -173.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.63 49.43 9.06 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.174 -0.771 . . . . 0.0 111.174 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.481 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 42.3 mt -105.64 150.14 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.834 0.35 . . . . 0.0 111.153 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 39.4 t -116.17 118.23 32.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 175.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.405 ' HA ' HG12 ' A' ' 23' ' ' VAL . 56.6 tp -66.58 129.0 38.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -178.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 77' ' ' PRO . 60.8 t -81.66 122.66 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 175.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 52.1 p -115.04 166.07 12.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.231 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.985 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.245 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.851 0.358 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -89.77 114.34 26.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.2 mt -90.13 108.2 19.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.232 -177.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 84.7 t -128.87 139.67 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 176.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 129.6 45.62 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -174.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 107.78 -22.57 27.78 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 37.8 mm -62.93 139.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.836 0.351 . . . . 0.0 111.224 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -75.83 138.39 41.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 9' ' ' TYR . 7.9 p90 -141.56 161.21 38.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 172.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -125.15 136.46 53.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 -177.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 39.7 mm -99.99 119.34 47.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 56.95 35.54 26.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -175.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 53.4 43.39 31.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -177.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.46 -107.63 0.14 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -175.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 39.5 t -54.83 135.38 47.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.0 mt -104.46 137.88 41.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.6 m -149.87 173.47 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.187 176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.3 m -102.94 146.85 27.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.201 -177.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 46.1 t -63.8 132.35 29.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.53 -97.55 0.81 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -131.55 142.69 49.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.182 -174.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 88.9 p -86.16 130.88 34.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.205 171.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 193' ' ' LEU . 30.2 m -136.93 175.37 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.221 -174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 10.0 t -143.05 148.34 36.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.229 179.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 25' ' ' ARG . 4.6 tmt_? -131.38 84.3 2.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.187 179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.46 -114.83 5.94 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.11 -2.49 52.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.796 0.331 . . . . 0.0 111.221 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.6 m -110.47 129.71 55.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.204 -177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -80.95 147.64 30.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 177.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -140.14 172.1 23.61 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.412 ' HB3' ' HB ' ' A' ' 67' ' ' VAL . 16.3 t80 -147.21 132.5 18.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.782 0.325 . . . . 0.0 111.183 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 78.0 t -106.5 131.35 56.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -175.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.8 t -152.73 -168.7 3.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.9 154.82 29.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' HA2' ' HB2' ' A' ' 65' ' ' ALA . . . -78.13 -40.33 20.77 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -173.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -74.84 -9.01 58.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 111.208 -171.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 57.6 m -77.27 -15.77 59.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 -175.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.46 -160.42 12.78 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.7 t -150.2 178.37 9.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 0.0 111.182 177.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.3 t -69.45 133.38 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 64.31 28.9 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.184 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -92.81 156.05 17.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.206 167.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 96.6 m -86.53 118.39 25.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -93.02 130.59 38.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 175.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -133.35 96.59 3.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.232 -174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 91.8 mt -100.71 122.48 52.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 -172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.3 22.94 76.91 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.1 25.34 57.81 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -144.44 130.32 19.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.787 0.327 . . . . 0.0 111.226 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.9 t -69.22 125.29 26.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 -177.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.02 -19.78 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.242 -175.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 152.04 -158.59 27.88 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 p -128.19 166.9 17.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.768 0.318 . . . . 0.0 111.223 -179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -74.52 125.43 28.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.93 -34.02 26.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.211 173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -157.13 168.32 27.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -169.23 136.82 1.84 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 70.5 t -120.61 110.0 27.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 50.5 t80 -174.65 129.36 0.44 Allowed Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.201 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.436 ' HB2' ' H ' ' A' ' 61' ' ' GLY . 73.2 Cg_endo -85.29 -152.44 0.76 Allowed 'Cis proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.188 5.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.436 ' H ' ' HB2' ' A' ' 60' ' ' PRO . . . 90.26 -61.17 3.3 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -171.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -118.79 -164.79 1.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.189 162.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 47.8 t0 -148.99 70.98 1.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.71 157.86 43.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 176.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.407 ' HB2' ' HA2' ' A' ' 35' ' ' GLY . . . -144.84 149.81 36.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -176.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -118.73 110.98 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.233 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 98.3 t -98.64 129.24 49.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 179.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 28.7 t -84.19 126.38 33.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.203 175.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -105.92 158.81 16.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.206 -176.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 49.8 p -86.48 168.71 13.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.247 170.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -68.72 -17.05 63.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -81.48 -9.31 59.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -175.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -80.06 142.1 35.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.214 -176.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.4 m -101.0 123.01 44.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.229 -177.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 mt -98.79 100.52 11.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.193 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.7 mt -100.65 119.34 58.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -177.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -76.65 64.61 7.47 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.716 1.611 . . . . 0.0 111.188 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.9 mmt-85 -139.87 144.57 37.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.245 -174.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 86.3 t -114.48 123.54 70.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 171.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.8 127.01 29.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -172.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -132.25 73.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.182 177.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.86 -120.31 10.72 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -176.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.5 p -83.63 -12.97 55.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.832 0.349 . . . . 0.0 111.241 175.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.4 p -108.07 -177.98 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.22 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.95 152.35 50.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.183 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.5 t -101.08 124.52 54.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.182 175.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.9 m -66.24 125.33 25.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.17 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.59 114.05 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.194 170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -104.59 -32.94 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -171.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.54 -151.26 7.05 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.1 p -145.27 155.81 43.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.802 0.334 . . . . 0.0 111.206 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.6 t -154.22 -168.22 2.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -111.47 157.45 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -84.27 150.21 25.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 174.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -149.85 143.38 25.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 178.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.4 t -68.15 123.31 21.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.181 -176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.16 -16.24 49.96 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -77.97 147.58 34.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -90.41 130.42 36.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 178.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.9 m -135.56 163.29 35.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.226 -178.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 71.6 m -128.05 174.77 8.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.176 173.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' NH1' ' O ' ' A' ' 137' ' ' CYS . 8.9 ptm180 -155.56 162.24 40.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 -174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 43.0 t -138.37 115.58 11.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 176.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.98 -155.47 10.27 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 174.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -113.65 -32.22 6.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.791 0.329 . . . . 0.0 111.169 -177.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 71.7 m -91.03 -52.41 4.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.247 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 43.7 p -89.18 -9.54 50.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 178.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 63.94 -130.74 39.4 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -93.32 115.85 28.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.344 . . . . 0.0 111.196 -175.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -127.58 153.57 46.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 90.2 m -129.14 152.87 48.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 176.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.75 -155.5 10.51 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -131.7 169.39 16.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 0.0 111.197 177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.45 129.4 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 82.7 p -104.2 -28.23 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.216 -173.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -159.97 174.38 14.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.203 -177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -155.63 168.27 27.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.182 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 59.79 43.21 15.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.247 -177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.5 t -89.28 139.1 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.192 -176.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.0 m -100.23 123.05 43.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -106.69 142.66 35.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -104.14 108.02 19.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -107.21 165.54 11.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.173 177.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.29 -34.81 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.18 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -75.06 -35.76 61.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 161.11 -173.16 37.51 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -83.65 146.35 28.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.812 0.339 . . . . 0.0 111.158 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.51 126.33 73.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 172.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -116.06 156.54 26.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.243 -170.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.21 33.36 14.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 180' ' ' LEU . 86.8 mt -95.53 145.48 25.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.202 -177.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.6 m -106.5 131.19 53.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.194 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -103.06 118.1 36.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 -171.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -104.31 -173.13 25.1 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 44.1 p30 -129.54 23.66 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 111.228 179.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -85.41 144.72 27.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.214 175.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.416 ' O ' ' NH1' ' A' ' 102' ' ' ARG . 48.4 t -67.25 141.34 57.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.246 179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 13.2 ptt? -143.68 153.78 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.191 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -129.89 -172.47 13.16 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 44.7 ttm180 -74.35 132.53 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 111.195 -174.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 88.51 -0.27 82.91 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -80.29 -9.52 59.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.779 0.324 . . . . 0.0 111.174 178.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.1 m -57.94 136.97 57.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.223 174.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 87.88 -4.1 85.77 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -174.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -68.44 171.66 36.49 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 30.5 t -96.97 135.2 39.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.767 0.318 . . . . 0.0 111.172 -171.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 49.3 m95 -108.69 140.67 41.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 168.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.3 tt -157.65 146.5 9.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -173.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 38.1 p -87.7 170.1 11.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.212 177.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.94 -15.42 63.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.226 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.69 2.97 49.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.41 22.94 61.56 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -100.07 119.46 38.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.813 0.34 . . . . 0.0 111.263 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -60.55 127.86 33.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.178 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 -87.48 -69.94 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.215 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -174.88 -169.97 37.42 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -173.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 90.0 t -116.59 132.39 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 111.194 -173.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 10.8 tpt -59.64 135.16 57.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 42.0 t -110.89 -64.7 1.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -177.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 177.66 -164.39 33.4 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -177.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 147.13 -169.15 28.2 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 63.3 t-20 -82.65 112.31 19.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 111.209 -177.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.1 m -118.78 170.41 8.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.239 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -77.41 153.95 33.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.198 174.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -65.07 -17.05 64.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -92.32 1.9 56.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 76.83 38.87 30.1 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 39.4 t-20 -168.51 102.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.4 p30 -102.65 37.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.224 -173.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 67.9 m -74.76 -29.33 61.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.217 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -86.76 -6.43 79.94 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 96.9 mt -93.99 126.38 49.28 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.196 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -54.54 144.49 62.96 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.696 1.597 . . . . 0.0 111.204 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.16 -34.85 68.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 -175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 84.8 p -69.99 -17.42 63.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -102.82 3.35 36.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 -174.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 52.2 ptt85 -141.3 179.11 6.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.179 -177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 95.5 p -149.34 159.38 44.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.209 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 47.7 t -142.72 95.78 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.417 ' HB3' ' HB3' ' A' ' 131' ' ' LEU . 81.7 mt -102.38 137.18 40.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.164 -168.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.7 p90 -152.05 160.13 43.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 70.5 mt-10 -106.95 145.48 32.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 91.3 mtm180 -68.13 140.2 56.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.219 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 58.3 tp -69.16 -41.07 77.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.196 -173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.596 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 87.5 mt-30 -53.77 -53.02 62.29 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 -170.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 56.7 Cg_endo -68.91 -30.02 27.07 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.729 1.619 . . . . 0.0 111.192 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 81.3 mt -61.73 -41.53 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 171.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 98.8 mt -65.62 -41.17 92.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.207 176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 60.3 p -68.67 -22.22 64.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -61.99 -33.94 75.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.432 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 57.6 m-85 -120.97 -4.75 9.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -172.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.79 33.4 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.432 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 55.6 mt -106.54 152.39 23.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.76 0.314 . . . . 0.0 111.188 -173.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -113.45 130.67 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.251 177.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 62.5 tp -74.23 130.18 39.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 -178.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.1 t -74.42 124.05 31.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 174.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 44.9 p -130.75 169.1 16.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 177.663 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.318 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -101.06 132.54 46.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 47.2 mm -101.22 109.06 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 87.2 t -126.11 135.05 65.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.26 140.03 42.81 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -177.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 108.54 -16.86 34.13 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 97.5 mt -70.34 125.69 29.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.788 0.328 . . . . 0.0 111.172 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -76.39 140.01 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.258 -178.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -140.5 156.82 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 176.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.5 t -102.16 146.58 27.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.96 113.41 43.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 56.0 31.23 17.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 53.74 35.26 20.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 -178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.38 -64.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.216 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.9 t -92.68 149.67 21.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.239 -174.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.4 mt -117.69 121.06 39.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 88.6 m -134.61 175.2 9.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.184 177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 64.1 m -119.85 153.71 35.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 70.2 t -66.59 128.25 29.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.08 -93.03 0.78 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -122.77 140.47 52.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 0.0 111.213 -174.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HB3' ' HB3' ' A' ' 75' ' ' LEU . 71.0 m -75.15 118.6 18.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 172.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.2 m -138.5 159.78 31.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.202 -175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.8 155.22 27.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.201 179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.653 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 38.2 ptt180 -133.02 66.3 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 175.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.04 -105.53 2.57 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.91 -37.87 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.352 . . . . 0.0 111.218 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 94.1 m -99.53 131.2 45.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.212 -170.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -114.88 152.34 32.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.203 175.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -172.57 -157.34 14.15 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -148.17 156.03 42.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 111.182 175.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 70.8 t -88.14 134.84 27.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.177 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.2 t -140.44 -171.79 3.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.18 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.35 156.72 19.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 -177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.24 -41.22 39.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -73.15 -4.48 33.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 111.175 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 67.3 m -64.51 -32.25 73.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.74 179.58 45.42 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -177.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.1 t -107.8 -166.21 1.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.224 -176.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.34 124.23 21.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 -173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.1 t30 65.57 31.56 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.46 146.2 47.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.214 167.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.9 m -84.06 114.96 22.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.164 -172.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -100.48 134.34 43.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.198 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -145.63 148.17 32.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 87.9 mt -118.59 113.84 43.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 176.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.4 17.78 79.08 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.4 -17.29 53.91 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -178.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.54 114.83 27.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.799 0.333 . . . . 0.0 111.185 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.17 126.8 23.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.234 -178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.9 m -108.06 -20.33 6.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.222 -175.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 164.82 -169.16 39.38 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 44.5 p -134.66 163.9 28.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.825 0.345 . . . . 0.0 111.203 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -69.17 103.85 2.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.37 -36.38 83.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.241 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.08 160.66 37.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.537 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 4.9 ppt_? -159.23 149.55 19.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 176.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 78.3 t -128.54 114.54 34.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.213 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -171.64 154.74 3.79 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.209 169.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.15 -160.01 2.22 Favored 'Cis proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.189 -4.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.07 -51.08 3.13 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -170.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -124.1 172.76 8.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.8 0.333 . . . . 0.0 111.224 168.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -128.3 72.98 1.45 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 173.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -142.92 151.36 40.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -173.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -157.43 164.68 37.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.223 177.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.2 t90 -134.71 124.16 24.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.237 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.1 t -106.98 123.42 62.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 -177.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 31.2 t -86.88 130.12 34.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.198 -178.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.4 mt -105.33 169.44 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.7 p -87.16 167.4 14.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 87.4 p -75.73 -11.14 59.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 -175.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.44 -8.92 59.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -105.98 137.61 43.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.237 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.3 m -105.39 123.91 48.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.208 -175.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB3' ' HB3' ' A' ' 22' ' ' SER . 92.6 mt -74.54 125.81 29.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.4 mt -118.57 138.67 26.08 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_endo -78.02 59.91 7.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.73 1.62 . . . . 0.0 111.215 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.64 133.32 47.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.163 -171.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 89.6 t -112.03 120.13 61.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.215 171.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.86 126.95 29.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.161 -175.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 62.7 t-20 -134.26 73.29 1.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.22 178.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.24 -115.15 6.22 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 87.3 p -84.87 -9.56 58.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.1 t -126.21 -158.1 0.83 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -154.14 164.1 39.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 78.1 t -112.95 127.91 69.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 176.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 94.0 m -72.52 130.66 41.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 91.9 t -76.38 125.64 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.141 176.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -109.44 -34.5 6.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.249 -172.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.46 -158.27 14.06 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 78.6 p -142.56 35.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.751 0.31 . . . . 0.0 111.209 -177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 87.5 m -63.23 126.99 29.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.237 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -77.97 132.56 37.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.236 -175.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -93.36 160.84 14.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.31 164.95 11.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.19 179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 14.2 p -57.16 134.66 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.214 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -17.82 51.24 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.44 148.51 39.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.326 . . . . 0.0 111.227 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.13 126.82 33.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.202 176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.9 m -135.44 155.45 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 76.5 m -117.89 163.91 15.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.19 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -140.52 154.54 46.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -101.32 171.22 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 162.17 177.96 35.65 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 73.8 ttt-85 -116.79 -60.73 1.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.789 0.328 . . . . 0.0 111.189 178.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.1 m -49.44 -50.05 42.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.243 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.8 p -96.82 -26.23 15.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 89.54 -177.51 43.79 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -65.77 127.64 32.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.179 177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -144.37 134.95 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 -173.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.496 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 99.3 m -107.0 155.15 20.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 178.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -167.2 -157.21 10.41 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 59.3 p -130.09 162.27 29.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.787 0.327 . . . . 0.0 111.189 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.6 mt -91.89 124.65 44.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 177.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 74.1 p -107.05 -29.88 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -172.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -150.25 100.05 2.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.209 -177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -86.82 141.85 28.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 59.6 t30 74.12 79.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.184 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.86 138.33 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 -173.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 97.7 m -99.24 134.73 41.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.26 146.22 34.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.227 -175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 56.7 t-20 -104.61 103.96 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.231 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -94.91 179.5 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -60.66 -34.53 74.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 179.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -73.86 -30.71 62.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.205 179.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 146.58 -176.0 25.71 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.41 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -71.34 131.57 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.807 0.337 . . . . 0.0 111.214 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 26.0 m -130.17 162.32 38.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 175.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 55.2 ptt85 -142.61 164.71 29.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.36 30.19 11.22 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 80.6 mt -98.52 161.96 13.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.751 0.31 . . . . 0.0 111.189 -178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 97.8 m -127.99 133.43 49.17 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.218 175.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -98.68 133.72 42.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.201 -171.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -134.84 -179.6 16.66 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -101.82 13.47 34.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 111.198 -175.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.81 171.76 13.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.217 -176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 79.0 m -75.89 162.25 28.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.214 -175.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 47.1 tpp -152.4 136.99 16.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.181 -176.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . 179.94 179.52 48.8 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -72.86 134.78 44.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.79 0.329 . . . . 0.0 111.209 -178.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.75 -15.35 58.45 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -93.59 -24.9 17.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.829 0.347 . . . . 0.0 111.219 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.3 m -49.96 137.26 17.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.183 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 88.54 -5.46 84.65 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -61.37 146.51 48.22 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 89.5 p -79.74 153.99 28.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.841 0.353 . . . . 0.0 111.195 -171.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -121.86 130.06 53.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.212 170.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 47.9 pt -139.86 165.45 22.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.23 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.4 p -99.83 178.12 4.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 172.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.7 p -69.09 -14.83 63.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.21 176.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -92.84 0.36 57.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.23 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.95 25.94 54.55 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -93.69 121.36 35.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 111.207 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -66.23 146.2 54.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -120.12 -47.32 2.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 -178.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 166.62 -168.96 40.41 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.26 153.3 34.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.759 0.314 . . . . 0.0 111.209 -176.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 97.1 mtp -63.13 129.62 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 -174.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 97.4 p -104.94 -32.07 8.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.201 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 150.08 -179.99 26.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -171.99 -179.0 42.65 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -85.34 72.06 10.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.777 0.322 . . . . 0.0 111.183 -172.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.98 164.38 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.252 175.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -111.83 173.93 6.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 91.2 p -77.96 -24.18 48.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.201 175.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -103.04 -4.82 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -154.39 115.77 0.69 Allowed Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 23.5 p30 -159.21 -172.18 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 111.259 -175.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 29.6 t-20 75.53 169.17 0.28 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.187 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 64.6 m -71.26 -1.21 11.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.209 -174.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -59.08 -26.23 60.85 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 97.8 mt -72.88 132.47 82.96 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 173.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_exo -49.13 133.94 29.69 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.694 1.596 . . . . 0.0 111.195 177.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.3 -34.19 70.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.223 -170.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 85.9 p -69.03 -17.0 63.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 -177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 97.8 mm-40 -104.02 5.27 35.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -173.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.1 ptt85 -148.25 166.66 27.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -176.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 77.3 p -164.37 156.24 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 168.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 74.5 m -116.82 131.07 57.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 -175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 68.6 mt -114.32 145.6 41.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.215 -178.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -147.05 157.9 43.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.181 175.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -112.13 140.06 47.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.226 -173.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -60.55 139.3 57.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -169.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.3 tp -70.94 -38.94 72.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.192 178.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.591 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 84.0 mt-30 -52.71 -53.29 55.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 -168.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 55.9 Cg_endo -69.54 -25.87 29.16 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.731 1.621 . . . . 0.0 111.167 -176.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.6 -43.82 90.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.187 174.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 97.0 mt -63.56 -38.97 93.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.214 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 79.4 p -73.48 -25.23 60.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.04 -40.9 82.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -106.09 -8.12 17.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 -174.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 74.28 43.87 30.32 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 177.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 48.2 mt -109.26 145.41 35.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.787 0.327 . . . . 0.0 111.186 -172.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 36.7 t -100.2 135.93 40.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.243 174.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.4 tp -77.84 126.79 31.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.9 t -73.55 121.29 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.209 175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 43.8 p -127.15 170.22 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.18 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 178.698 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.822 0.344 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -105.34 143.0 34.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -108.89 120.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.215 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.1 m -128.99 158.87 41.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 177.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.34 118.55 15.25 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 106.34 -9.51 42.14 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 176.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG22 ' HB ' ' A' ' 19' ' ' VAL . 9.6 tp -61.22 138.34 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 111.198 -179.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -77.18 135.7 38.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -177.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -140.32 154.53 46.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.205 172.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -96.41 147.83 23.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.212 -175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.3 mp -117.05 113.77 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 55.57 29.55 13.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.193 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 53.58 39.17 29.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.223 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -140.75 -46.31 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.1 m -112.89 157.21 21.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 -175.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -120.05 149.1 42.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.184 173.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -160.07 170.1 21.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.188 -175.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.5 p -107.29 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.213 -177.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 ' HB ' HG22 ' A' ' 7' ' ' ILE . 76.9 t -86.28 138.24 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.164 176.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.16 -79.34 0.98 Allowed Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 179.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -134.41 148.08 50.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.808 0.337 . . . . 0.0 111.194 -174.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.9 m -86.33 129.98 34.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.192 175.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 34.4 m -131.85 161.67 40.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.176 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.7 p -126.24 151.26 47.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.226 172.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.566 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 31.4 tpt180 -134.24 67.11 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.237 177.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.62 -107.07 2.51 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.83 -8.62 36.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.799 0.333 . . . . 0.0 111.192 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.4 m -110.28 129.84 55.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.243 -177.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 71' ' ' SER . 93.0 mttt -92.75 169.49 10.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.4 -170.51 37.03 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -152.2 157.24 41.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.195 173.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.5 t -96.43 132.65 40.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.172 -178.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.8 t -137.86 -170.58 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.191 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.5 153.08 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.164 -178.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -94.87 52.24 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 86.6 t60 -142.41 -34.14 0.46 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.772 0.32 . . . . 0.0 111.177 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.7 m -78.38 -16.38 57.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.205 -178.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.18 -160.0 16.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 -179.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -152.38 -171.2 3.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.793 0.33 . . . . 0.0 111.213 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -64.06 141.28 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -175.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 66.63 21.73 10.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.12 144.96 27.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.204 169.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 95.3 m -81.31 122.23 27.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.8 129.51 48.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -129.4 88.3 2.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.206 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 95.5 mt -72.05 116.83 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.26 11.58 82.01 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.02 -9.48 70.26 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 131.75 38.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.7 119.6 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.247 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.23 -22.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.223 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 149.33 -153.62 25.28 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 70.5 p -126.9 167.18 16.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.783 0.325 . . . . 0.0 111.207 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.441 ' N ' ' HD1' ' A' ' 54' ' ' PHE . 1.8 m-85 -66.32 125.74 26.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -78.96 -43.33 24.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -158.65 158.82 34.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.58 ' O ' ' HD2' ' A' ' 57' ' ' ARG . 7.3 ppt_? -145.57 150.89 37.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.226 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HB ' ' HB2' ' A' ' 64' ' ' ARG . 59.1 t -130.21 106.59 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 175.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 24.4 p90 -172.61 155.07 3.14 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 170.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -80.09 -157.88 1.59 Allowed 'Cis proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.707 -2.205 . . . . 0.0 111.222 -3.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.08 -61.38 2.24 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -118.69 177.97 4.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.825 0.345 . . . . 0.0 111.212 167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -126.24 77.14 1.66 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.423 ' HB2' ' HB ' ' A' ' 58' ' ' VAL . 84.0 mtm180 -125.96 147.98 49.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 -177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -159.48 140.26 12.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 21.7 t90 -129.32 125.46 36.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.1 t -111.17 131.69 61.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.213 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.1 t -73.15 139.38 46.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.8 tt -133.88 132.76 40.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.2 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -66.02 142.78 57.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 87.2 p -65.96 -17.81 64.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.188 -176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.58 -27.52 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.149 -179.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -91.38 155.62 18.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.215 -176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 92.7 m -103.75 119.74 39.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.187 -172.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.81 133.58 33.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.211 173.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 92.2 mt -114.35 141.82 27.11 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.187 177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -78.83 54.6 5.19 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.665 1.577 . . . . 0.0 111.216 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -133.83 143.27 48.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.148 -170.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 95.6 t -122.67 131.6 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 171.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.03 125.39 22.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 -174.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.75 75.68 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 69.16 -112.39 4.51 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 94.3 p -89.55 -14.07 35.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.206 179.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.57 -166.45 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 -175.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -137.34 158.04 45.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -107.75 129.06 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.204 172.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -77.44 131.73 38.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 87.4 t -74.52 109.55 7.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.223 177.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -86.35 -29.62 22.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.16 -176.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.45 -139.21 4.8 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 -177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 t -162.73 128.26 3.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.835 0.35 . . . . 0.0 111.172 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 13.6 t -154.91 -168.95 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 56.9 tt0 -122.82 119.42 30.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 178.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -74.43 150.91 39.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.98 161.02 20.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 78.3 t -63.88 130.67 29.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.49 -16.17 48.78 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.14 145.38 48.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -86.26 126.98 34.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 175.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 m -134.08 156.57 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 65.5 m -127.59 159.58 34.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.181 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.426 ' O ' ' HD2' ' A' ' 102' ' ' ARG . 8.2 ppt_? -143.67 150.4 38.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.197 -178.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 60.5 p -87.67 174.94 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.183 168.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -165.91 -166.08 24.34 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -121.74 -42.73 2.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.196 -175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 96.1 m -93.31 -47.86 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.155 -179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.7 p -95.39 -16.85 22.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.179 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.37 -122.81 8.06 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -90.96 127.43 36.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 111.202 -173.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -149.21 138.73 21.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 -178.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 74.1 m -113.14 160.73 17.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.226 -178.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.67 -161.95 19.81 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 80.5 p -128.97 161.56 29.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 111.188 178.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 77.9 mt -90.5 126.32 43.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 177.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 73.1 p -107.28 -28.61 9.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.182 -172.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -166.43 172.85 10.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.244 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -138.87 167.7 21.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 177.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.44 49.08 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.197 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -103.07 139.98 22.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.196 -176.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 86.4 m -106.07 135.19 47.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.176 178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -142.57 150.92 41.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -90.47 119.16 30.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.202 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -113.89 169.71 8.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.175 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -58.35 -36.15 73.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.191 -176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 24.8 pm0 -80.97 -7.36 59.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -178.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 129.47 175.51 14.07 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.79 133.92 48.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.783 0.325 . . . . 0.0 111.184 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 98.5 t -122.38 130.89 74.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 54.9 ptt85 -123.98 165.21 17.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 -174.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 81.57 24.91 55.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.06 148.94 22.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 0.0 111.21 -177.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 93.6 m -88.09 131.15 34.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.185 175.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 179' ' ' SER . 32.9 tt0 -106.44 125.86 51.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -171.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -120.14 -161.24 11.46 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 171.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 38.7 p-10 -134.11 47.74 2.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.762 0.315 . . . . 0.0 111.214 174.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.21 148.46 22.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.211 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.9 t -63.17 146.21 53.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 175.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 69.5 mtm -135.68 153.98 51.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 -179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.16 176.93 19.73 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 170.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -82.03 123.73 29.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.796 0.331 . . . . 0.0 111.2 -177.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 102.86 -1.77 48.37 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -81.34 -8.37 59.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.832 0.349 . . . . 0.0 111.202 179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 72.7 m -54.2 138.94 37.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 90.19 -0.77 78.99 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -58.07 141.45 45.36 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' A' ' 102' ' ' ARG . 29.1 t -87.16 108.79 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.332 . . . . 0.0 111.222 -172.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 68.3 m95 -84.69 130.77 34.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 82.1 mt -126.23 135.45 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.213 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 27.9 p -75.21 174.72 9.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.0 p -68.07 -15.37 63.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 176.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -94.68 0.83 55.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.26 28.92 42.64 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -102.31 151.15 22.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 111.168 -174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -73.15 99.53 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.23 178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -79.31 -60.07 2.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.208 -171.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.22 -171.99 42.16 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.259 -0.736 . . . . 0.0 111.259 -173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 33.6 m -125.52 145.45 32.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.84 0.352 . . . . 0.0 111.163 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 27.2 ttt -64.98 138.16 58.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.199 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 47.5 t -85.39 -57.55 3.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 172.89 176.47 41.5 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . -83.37 162.18 39.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -103.86 9.69 36.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.819 0.343 . . . . 0.0 111.165 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 34.5 m -125.38 -178.86 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.158 -178.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 20.4 pm0 -65.63 151.73 45.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.21 178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.8 p -67.47 -18.79 65.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -174.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -97.15 9.28 42.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.219 -178.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -130.03 -165.43 11.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -154.36 176.83 11.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.771 0.319 . . . . 0.0 111.186 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -100.78 -0.93 36.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.22 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 54.0 m -65.47 -25.89 67.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.182 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -87.9 4.33 85.68 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 45.5 mm -101.03 128.87 28.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.331 . . . . 0.0 111.217 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 142.77 59.26 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.695 1.596 . . . . 0.0 111.227 177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.11 -29.67 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.218 -174.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.0 p -74.14 -20.44 60.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.248 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -109.83 -14.74 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 42.0 ttp180 -74.93 143.45 43.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 97.8 p -140.5 151.76 45.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.191 179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 133' ' ' GLN . 83.9 p -149.55 149.37 30.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.217 175.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 82.8 mt -130.0 143.02 50.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.206 -175.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -154.15 156.65 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -93.32 149.7 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 -177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -76.41 145.37 39.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.195 -179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 62.8 tp -76.56 -43.1 40.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.199 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.564 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 94.3 mt-30 -55.27 -45.42 99.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.223 -165.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 80.1 Cg_exo -49.05 -41.68 40.07 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 121.726 1.617 . . . . 0.0 111.164 176.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.3 mt -68.86 -44.84 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.226 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.21 -36.52 82.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.157 -177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 93.4 p -83.43 -24.0 32.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.164 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -67.77 -43.8 78.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.219 -178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -110.63 -6.37 14.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 -173.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 72.95 59.73 4.19 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 57.2 mt -109.89 143.89 39.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.203 -170.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 37.3 t -112.41 125.01 53.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.177 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.26 140.14 57.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.223 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 94.1 t -72.34 119.55 19.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 174.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 8.8 t -170.58 149.17 3.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.189 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.974 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -179.48 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.797 0.332 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -82.03 122.62 28.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.207 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 mm -92.95 109.32 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.3 m -130.42 157.06 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.22 178.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.4 124.24 24.47 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 111.3 -25.21 14.19 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 174.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 18.1 tt -60.85 136.6 24.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.758 0.313 . . . . 0.0 111.202 -173.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -71.65 151.14 43.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.199 -177.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -151.28 154.8 37.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 168.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.8 t -101.14 144.96 29.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -174.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mp -116.75 110.18 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 54.66 33.59 19.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.97 35.99 25.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.41 -64.33 0.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.198 -178.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.2 t -97.29 149.0 22.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.237 -173.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.5 mt -121.27 122.25 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.229 175.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 74.8 m -132.43 170.82 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.231 179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.8 m -102.92 152.6 21.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.233 174.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 65.6 t -75.35 133.99 30.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.232 173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.55 -81.16 0.94 Allowed Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -131.54 142.95 50.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 111.186 -176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -81.62 121.8 26.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.414 HG21 HD13 ' A' ' 193' ' ' LEU . 34.1 m -135.41 162.85 36.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.226 -174.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.5 p -125.46 152.25 45.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.188 174.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -131.56 89.38 2.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 173.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.84 -104.44 2.09 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.12 3.44 16.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 0.0 111.175 172.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -91.57 128.2 37.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.242 -175.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -84.73 156.68 21.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.418 ' HA2' ' HG ' ' A' ' 69' ' ' LEU . . . 177.46 -172.37 45.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.6 p90 -150.9 157.34 42.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.201 175.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 81.8 t -93.23 138.54 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.0 t -151.43 -169.44 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.4 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . . . -80.25 157.42 26.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.228 -177.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.31 -12.25 60.11 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -173.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -105.2 14.79 28.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.322 . . . . 0.0 111.188 -177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' SG ' ' HB3' ' A' ' 34' ' ' ALA . 69.4 m -84.87 -29.62 25.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.212 175.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -173.38 -162.67 25.74 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.9 t -135.66 -174.64 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.825 0.345 . . . . 0.0 111.223 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.62 131.25 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 -175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 37.3 t30 75.72 19.79 1.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 178.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.67 145.19 33.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 170.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -88.16 121.41 30.53 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.183 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -101.46 131.4 47.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -128.69 142.04 51.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.173 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 83.9 mt -125.15 114.43 40.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 172.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.82 9.84 83.95 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 -176.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.7 -18.05 55.6 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -92.5 139.38 30.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.779 0.324 . . . . 0.0 111.19 -178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 99.1 t -69.8 124.78 26.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.194 179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.3 m -109.36 -21.45 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 171.37 -170.33 43.22 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.0 p -134.59 160.08 39.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.77 0.319 . . . . 0.0 111.176 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -68.73 128.7 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.28 -48.48 6.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.2 -178.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -156.79 157.31 34.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.209 -177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.69 152.47 15.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.81 118.5 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.244 -177.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -170.72 153.12 3.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.215 171.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -80.01 -177.56 20.79 Favored 'Cis proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.715 -2.202 . . . . 0.0 111.222 -3.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.57 -31.19 8.5 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -141.92 174.43 10.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 0.0 111.178 174.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -129.96 54.71 1.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.187 172.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -124.6 150.44 45.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.189 -173.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -163.36 154.35 16.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 27.5 t90 -123.15 127.39 48.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 172.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.5 t -106.31 123.33 61.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 30.9 t -82.99 120.41 25.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 -177.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.418 ' HG ' ' HA2' ' A' ' 30' ' ' GLY . 96.1 mt -97.27 162.68 13.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.166 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 72.4 p -79.57 165.41 22.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 172.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.7 p -69.08 -16.07 63.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.4 -9.63 59.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.247 -177.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.9 mm-40 -85.08 152.56 23.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -177.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.6 m -111.21 121.58 45.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.146 -178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 89.2 mt -95.67 107.41 19.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.173 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.0 mt -106.5 136.65 19.36 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 -178.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -77.83 58.94 6.68 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.698 1.599 . . . . 0.0 111.246 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -129.58 139.22 51.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 86' ' ' VAL . 98.1 t -115.22 124.93 72.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.208 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -55.37 121.44 8.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.196 -175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 60.0 t-20 -132.58 74.15 1.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.171 177.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 68.95 -113.43 5.21 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 93.7 p -88.1 -14.92 37.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.3 t -117.82 -166.24 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 -175.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -138.33 155.95 48.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.251 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' HB ' ' A' ' 79' ' ' VAL . 89.6 t -101.15 128.83 53.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 170.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 95.8 m -78.51 128.22 33.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 95.4 t -76.72 123.92 34.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.475 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.0 mmt180 -106.99 -34.97 7.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -174.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -168.07 -164.92 24.59 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 77.8 p -143.57 35.81 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.842 0.354 . . . . 0.0 111.216 -176.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 69.8 p -85.01 160.59 20.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -85.16 130.39 34.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.245 -175.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -86.28 150.66 24.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.64 157.34 35.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.197 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -67.97 126.66 28.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.2 178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 101.98 -5.07 53.02 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -175.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.36 149.43 48.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 111.181 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.5 116.76 19.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.56 161.66 36.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 -172.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 64.9 m -135.52 174.15 10.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.515 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 6.8 ppt_? -151.48 163.16 39.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.177 175.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 85.5 p -111.96 171.52 7.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 177.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -173.44 -161.79 24.27 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.5 ttt-85 -113.97 -62.16 1.64 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.842 0.353 . . . . 0.0 111.175 178.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 66.0 m -55.61 -53.25 58.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.193 -177.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.7 p -95.42 -20.64 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 -178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 85.63 -64.64 4.09 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -153.37 134.11 13.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.75 0.309 . . . . 0.0 111.216 -174.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -154.27 139.68 17.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.202 -177.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 84.6 m -113.2 161.74 16.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.236 -177.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.08 -155.75 11.98 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 67.1 p -132.94 157.61 44.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.762 0.315 . . . . 0.0 111.229 176.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.0 mt -82.28 131.03 34.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.202 178.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.2 p -106.64 -29.54 9.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.165 -178.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -169.12 168.96 9.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.214 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -145.78 164.19 32.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -175.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 63.4 62.79 0.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.4 t -118.22 139.06 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.209 -176.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.8 m -109.15 125.47 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.153 172.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -130.56 149.43 52.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.225 -177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 127' ' ' ALA . 55.7 t-20 -102.18 104.07 14.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -178.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -85.68 168.83 14.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -62.2 -26.72 68.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -99.11 7.24 46.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.194 -176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 125.88 168.1 12.61 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.428 ' HA ' ' HA ' ' A' ' 122' ' ' ASN . . . -76.33 149.19 37.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.771 0.319 . . . . 0.0 111.192 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 89.5 t -130.53 126.34 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 175.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -100.34 156.57 17.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.225 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.38 34.28 29.48 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 172.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 92.1 mt -88.96 151.62 22.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 111.181 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.401 ' HB ' ' CZ ' ' A' ' 181' ' ' PHE . 99.0 m -124.49 135.7 53.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -93.51 138.23 32.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -143.25 165.99 26.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 178.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -91.56 -10.42 40.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.727 0.298 . . . . 0.0 111.168 -177.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.88 133.49 56.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.215 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 48.8 t -62.41 131.36 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -176.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 66.3 ttp -126.04 130.51 51.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.189 178.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -135.24 -178.33 15.61 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.82 129.13 38.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 111.172 -178.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.81 55.52 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -99.42 -11.19 21.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.797 0.332 . . . . 0.0 111.209 170.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.9 t -64.28 137.67 58.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.17 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 100.25 -19.6 52.2 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -69.13 166.26 48.01 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -178.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 88.7 p -90.1 157.82 17.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.812 0.339 . . . . 0.0 111.205 -176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 7.6 t-105 -123.89 116.2 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.208 169.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.9 tt -136.44 141.03 42.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.18 -170.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 28.7 p -80.62 170.72 15.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.219 -174.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 93.3 p -66.02 -18.18 65.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -88.06 -4.41 58.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 84.25 27.15 37.55 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -97.38 128.97 44.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.849 0.357 . . . . 0.0 111.165 -179.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -74.15 127.28 32.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 178.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -105.44 -49.71 3.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -175.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 175.27 -170.98 44.15 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -177.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 97.0 t -120.73 136.71 56.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.765 0.317 . . . . 0.0 111.22 -172.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 98.3 mmm -54.87 119.58 5.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -177.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.462 ' OG ' ' N ' ' A' ' 160' ' ' GLY . 88.9 p -90.76 -84.63 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.23 -178.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . 0.462 ' N ' ' OG ' ' A' ' 159' ' ' SER . . . 174.96 -167.0 38.97 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 169.52 178.28 40.62 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -82.6 78.65 9.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 0.0 111.199 -176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . 0.435 ' HA ' ' HB3' ' A' ' 169' ' ' ASN . 34.1 m -70.91 154.82 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.202 177.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -97.88 -176.77 3.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.0 p -66.82 -15.04 63.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.236 -178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -74.45 -13.44 60.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 104.17 -6.23 46.48 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.5 p30 -150.75 177.82 9.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.81 0.338 . . . . 0.0 111.184 -178.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.435 ' HB3' ' HA ' ' A' ' 163' ' ' VAL . 57.2 p30 -125.48 7.69 7.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 177.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 19.0 p -82.08 -11.47 58.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.199 -177.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -79.78 -6.48 89.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 168.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 47.6 mm -95.56 137.38 21.99 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 111.22 177.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -49.98 144.91 20.41 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.693 1.595 . . . . 0.0 111.189 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.18 -23.28 67.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -169.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 82.9 p -67.95 -19.85 65.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -108.39 -38.67 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 -176.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -138.81 147.35 42.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.19 -176.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 86.6 p -154.17 166.38 33.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 29.2 t -81.08 127.3 32.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.8 mt -117.98 130.23 56.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -176.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . 0.401 ' CZ ' ' HB ' ' A' ' 132' ' ' THR . 41.7 p90 -142.99 150.44 39.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 174.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -93.73 132.69 37.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.226 -171.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -54.45 139.68 36.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.227 -175.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.5 -39.4 58.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.198 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.652 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 92.0 mt-30 -57.43 -46.65 99.78 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.214 -166.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.652 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 86.3 Cg_exo -51.86 -43.44 51.75 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.675 1.584 . . . . 0.0 111.194 174.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.46 -41.1 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.22 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 95.8 mt -61.96 -34.62 76.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 179.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 84.9 p -83.24 -23.09 32.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.203 176.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -68.59 -45.01 73.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.425 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 56.4 m-85 -107.98 -9.18 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -175.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 75.2 60.65 3.24 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 -178.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.425 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 46.1 mt -115.14 148.25 39.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.761 0.315 . . . . 0.0 111.246 -171.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 38.1 t -114.08 125.04 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 60.1 tp -73.63 129.56 38.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.193 -178.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.3 t -73.68 122.22 26.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 173.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 41.7 p -125.37 172.18 9.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . 0.475 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.99 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -113.1 118.19 34.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.203 177.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -89.24 108.39 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 -177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 99.4 t -131.23 137.97 54.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -63.54 138.83 43.06 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 101.31 -17.64 55.28 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 178.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.5 mm -68.02 135.12 29.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.242 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -78.72 135.89 37.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.17 174.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -140.61 161.02 38.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.197 176.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -105.76 149.38 26.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -173.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 15' ' ' SER . 4.9 mp -117.29 114.12 44.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.192 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 56.39 30.4 16.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 54.96 33.89 21.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.39 -64.3 0.73 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.201 -176.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.415 ' HB3' ' HB ' ' A' ' 11' ' ' ILE . 31.3 t -89.95 146.01 24.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.199 -173.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 81.5 mt -108.68 142.44 39.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.19 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.9 t -159.35 152.3 21.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 -174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.5 m -97.35 145.1 26.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.431 HG13 ' CE1' ' A' ' 31' ' ' PHE . 54.7 t -67.9 128.22 30.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -85.75 -95.05 0.79 Allowed Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 175.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -124.54 146.48 48.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -172.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.6 p -95.21 135.56 36.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 195' ' ' LEU . 33.0 m -135.99 164.12 32.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.197 -177.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 94.1 m -127.88 136.9 52.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 174.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 72.7 ttt-85 -126.67 91.32 3.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.231 177.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.08 -121.96 8.69 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -175.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -94.33 -2.43 52.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.351 . . . . 0.0 111.219 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 97.3 m -112.02 134.49 53.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -81.14 153.59 27.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.182 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -135.19 176.87 19.78 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -177.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 69' ' ' LEU . 5.9 t80 -152.86 124.43 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 111.161 -176.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 74.6 t -98.45 130.57 47.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.233 -177.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -151.54 -169.58 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.47 154.55 19.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.222 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.42 -15.77 59.8 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -72.48 -27.2 62.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.317 . . . . 0.0 111.164 173.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 65.1 m -68.95 -45.31 71.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.202 -173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.65 -156.87 7.08 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -173.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.5 t -146.24 -179.58 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.791 0.329 . . . . 0.0 111.261 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -72.28 133.23 32.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.231 -174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 64.5 28.7 13.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.207 -177.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -86.76 155.7 20.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 170.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 98.7 m -91.6 119.2 31.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -95.47 131.32 41.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 177.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -124.86 87.52 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.212 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 92.7 mt -89.3 119.55 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.24 12.85 58.22 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.75 23.71 55.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -154.41 149.46 26.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.784 0.326 . . . . 0.0 111.225 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.2 t -64.44 123.52 17.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.46 -22.82 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.98 -172.42 45.1 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 178.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 60.6 p -133.02 158.42 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.771 0.319 . . . . 0.0 111.207 -178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -70.22 105.21 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -69.16 -36.81 77.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -151.81 168.06 26.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.235 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tmm_? -168.45 136.32 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.18 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -120.95 113.16 38.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 47.8 t80 179.96 133.8 0.26 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.238 -177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -81.24 -154.98 1.08 Allowed 'Cis proline' 0 N--CA 1.459 -0.539 0 C-N-CA 121.698 -2.209 . . . . 0.0 111.189 -1.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.13 -61.24 2.23 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -171.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -121.31 -171.04 2.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.808 0.337 . . . . 0.0 111.199 159.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -139.9 78.3 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 177.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.45 ' HD2' HG12 ' A' ' 187' ' ' ILE . 32.6 ptt-85 -146.33 152.81 39.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.242 178.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -147.49 150.38 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.206 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 17.8 t90 -119.86 114.74 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 31' ' ' PHE . 88.6 t -101.4 129.19 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.1 t -91.8 117.91 30.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.193 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.435 HD11 ' HB2' ' A' ' 31' ' ' PHE . 80.7 mt -94.76 156.65 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 -175.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.7 m -63.66 129.47 40.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 168.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 44.8 t -56.17 -40.33 73.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.15 76.21 4.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.265 -173.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -165.96 -176.14 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.174 170.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 97.7 m -112.5 114.82 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.1 mp -101.1 127.6 47.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.178 171.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.4 mt -115.14 139.05 23.9 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.205 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -79.45 54.21 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.707 1.605 . . . . 0.0 111.152 177.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -124.74 140.77 52.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.223 -170.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 81.7 t -122.36 126.68 74.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 170.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.68 123.6 16.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -175.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.49 76.55 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 70.93 -119.01 7.86 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -175.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 92.1 p -87.51 -11.82 47.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.744 0.307 . . . . 0.0 111.143 176.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 74.7 p -109.15 179.14 4.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.17 -176.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -133.64 149.69 51.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 175.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 87.0 t -101.68 129.44 52.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 176.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 97.6 m -85.36 127.93 34.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.225 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 88.7 t -73.95 121.53 25.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.2 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.448 ' NH1' ' OXT' ' A' ' 198' ' ' GLY . 40.1 mmt180 -97.18 -14.79 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 -173.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 174.18 -143.94 7.27 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -177.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 86.7 p -170.37 49.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 111.203 -176.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 81.1 p -86.73 161.25 18.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 172.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.5 tt0 -92.68 127.17 38.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -77.6 148.14 35.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.22 164.97 19.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.218 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.0 t -66.37 127.32 27.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.03 -12.72 55.98 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.19 146.39 45.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.752 0.31 . . . . 0.0 111.26 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -78.71 124.2 27.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.182 178.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 m -134.48 155.9 39.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 77.5 m -128.17 175.38 8.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.3 ppt_? -155.11 167.33 30.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 176.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 42.9 t -137.78 126.36 23.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.215 -176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -134.15 -177.4 14.91 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 169.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 53.7 tpt85 -89.07 -40.37 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.788 0.327 . . . . 0.0 111.183 177.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 99.4 m -66.8 -48.17 69.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 -172.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 66.2 p -117.13 4.88 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 -173.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.21 -131.11 22.3 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 172.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 44.8 t80 -110.34 113.8 26.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.761 0.315 . . . . 0.0 111.225 -170.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -124.14 152.04 43.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 -176.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 100.0 m -128.64 158.08 39.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.188 -178.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.53 -161.15 17.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 177.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 77.5 p -128.53 155.92 44.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.837 0.351 . . . . 0.0 111.195 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 96.9 mt -78.74 122.39 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.2 p -107.29 -28.44 9.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -158.64 155.7 28.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.22 -178.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -127.98 165.88 19.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.203 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 62.09 44.45 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.187 179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.5 t -92.35 139.95 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.176 -178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 96.4 m -96.8 119.42 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.218 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.2 152.27 18.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -106.9 105.84 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.187 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -107.72 162.74 13.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.197 175.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.83 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.222 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -74.36 -35.17 63.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.186 -179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 164.08 -173.89 40.14 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -79.04 145.48 33.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.831 0.348 . . . . 0.0 111.173 -179.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 93.6 t -127.95 115.14 37.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.209 175.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 41.5 ptt180 -112.66 171.72 7.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.212 -171.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 80.74 26.62 53.37 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 89.2 mt -99.11 152.43 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.788 0.328 . . . . 0.0 111.181 -177.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 92.6 m -106.57 136.8 45.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.211 178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -101.02 113.25 26.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.196 -172.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -102.93 -166.98 26.05 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -111.31 0.71 16.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 111.218 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.02 143.86 50.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.171 -177.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . . . . . . . . . 41.4 t -59.51 144.86 46.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.219 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 48.2 tpp -121.63 130.95 53.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.201 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -155.01 -176.69 27.51 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -64.71 125.52 25.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.776 0.322 . . . . 0.0 111.239 -177.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 100.59 -14.52 59.15 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -73.93 -33.68 64.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.339 . . . . 0.0 111.215 -177.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 68.0 m -53.29 138.25 32.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.01 -19.89 52.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -60.28 141.94 47.81 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -176.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 96.9 p -76.34 154.95 34.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.805 0.336 . . . . 0.0 111.203 -176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -115.13 145.44 42.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.226 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.4 mt -124.84 135.09 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.192 -176.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 44.2 p -84.08 172.87 11.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.204 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 85.5 p -66.39 -19.18 65.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.191 179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -87.12 -5.66 58.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.176 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.87 36.18 19.65 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -118.34 163.88 16.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.224 -177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -68.4 141.83 55.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.193 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -120.99 -47.27 2.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 169.36 -170.47 42.62 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 -176.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 27.3 m -126.27 148.36 30.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.787 0.327 . . . . 0.0 111.2 -177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 75.2 mtp -66.63 141.78 57.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.239 -173.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 41.9 t -110.02 -66.51 1.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.216 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . 174.76 -169.29 42.21 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.78 -171.42 42.25 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -80.75 81.77 6.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.788 0.328 . . . . 0.0 111.214 -175.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 30.6 m -73.75 155.23 6.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.208 176.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -83.7 -169.56 2.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.228 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 85.9 p -68.87 -19.02 64.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.198 -176.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -95.5 4.5 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 73.15 39.11 53.84 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 168' ' ' ASN . 23.5 p30 -172.27 129.85 0.59 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.173 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -105.44 32.2 4.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 85.5 m -67.69 -30.77 70.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.168 -177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -77.41 -5.28 85.57 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 -176.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . . . . . . . . . 50.4 mm -75.87 132.17 74.95 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.783 0.325 . . . . 0.0 111.212 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -51.78 143.43 38.42 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.733 1.622 . . . . 0.0 111.197 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -58.75 -31.06 67.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.182 -171.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.8 p -68.82 -20.02 64.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -113.24 -21.96 10.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -74.76 138.62 42.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 -177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 69.6 p -159.27 169.84 23.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.209 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 86.2 p -160.92 154.64 22.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 91.1 mt -108.9 143.31 38.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.26 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 53.5 p90 -150.14 161.12 43.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -110.27 143.54 40.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.205 -176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 90.3 mtm180 -66.33 151.73 46.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 -175.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . . . . . . . . . 57.7 tp -77.78 -38.25 47.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.19 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.591 ' HB2' ' HD3' ' A' ' 186' ' ' PRO . 91.2 mt-30 -56.02 -45.86 99.84 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.219 -165.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.591 ' HD3' ' HB2' ' A' ' 185' ' ' GLN . 93.5 Cg_exo -50.31 -40.18 52.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.658 1.572 . . . . 0.0 111.233 176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.45 HG12 ' HD2' ' A' ' 64' ' ' ARG . 88.9 mt -69.3 -47.49 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.24 -176.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.58 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.213 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 97.0 p -78.89 -28.28 44.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.173 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 67.3 tt0 -68.81 -47.83 65.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . 0.412 ' HB2' ' HG ' ' A' ' 193' ' ' LEU . 65.9 m-85 -101.75 -3.04 28.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.187 -170.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 71.97 47.42 31.7 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . 0.412 ' HG ' ' HB2' ' A' ' 191' ' ' TYR . 54.6 mt -100.83 140.84 34.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 111.208 -173.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 40.3 t -102.7 109.36 20.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.233 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.402 ' HA ' HG12 ' A' ' 23' ' ' VAL . 48.6 tp -62.6 129.67 41.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.169 -177.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 91.3 t -73.21 116.73 15.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.231 175.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 59.3 p -128.33 171.43 12.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.178 -176.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . 0.448 ' OXT' ' NH1' ' A' ' 89' ' ' ARG . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.748 0.309 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -76.21 130.73 38.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.208 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.5 mm -107.69 114.46 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -127.96 162.57 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 174.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -64.67 144.79 48.78 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 105.47 -22.08 33.37 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 81.9 mt -64.29 119.8 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.337 . . . . 0.0 111.203 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -74.48 136.09 42.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 173.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.6 p90 -142.74 161.5 37.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -178.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 31.5 t -93.94 138.83 31.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 HD12 ' N ' ' A' ' 11' ' ' ILE . 5.2 mp -116.01 100.52 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.207 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 53.82 26.96 6.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.226 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 51.81 32.3 9.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -116.82 -50.88 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.22 178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 68.1 m -106.73 151.57 24.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.183 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 90.0 mt -117.83 111.69 19.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.174 172.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 68.2 m -134.74 158.74 43.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.185 -174.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.6 m -103.81 160.22 14.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.239 178.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 73.5 t -72.33 131.44 34.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.176 176.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -82.01 -78.45 1.01 Allowed Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -176.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.402 ' CZ ' ' HG ' ' A' ' 184' ' ' LEU . 47.6 p90 -153.16 158.67 42.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 111.217 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 70.2 m -84.23 134.97 34.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -170.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 30.1 m -136.36 156.79 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.145 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.0 t -147.68 148.4 30.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.198 177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.7 ttt85 -138.18 97.24 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 175.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.47 -113.89 5.11 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -93.5 -6.76 46.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 0.0 111.242 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 99.2 m -90.7 130.93 36.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.169 -176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -122.56 146.44 47.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.208 177.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -170.42 -160.1 18.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 47.2 p90 -146.12 160.04 42.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.807 0.337 . . . . 0.0 111.219 177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.443 HG11 HG21 ' A' ' 187' ' ' ILE . 52.8 t -101.22 140.29 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -136.5 -168.35 2.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.205 179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.2 146.94 47.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.45 -46.16 10.3 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -172.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -74.42 -11.42 60.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.83 0.348 . . . . 0.0 111.208 -177.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 51.6 t -54.31 -58.98 5.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 -178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.31 -149.53 7.21 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.4 t -153.81 -169.05 3.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 111.202 179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.0 t -63.83 124.2 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 -175.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.05 32.31 12.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.205 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.38 146.21 36.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 169.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.8 m -93.46 120.71 34.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 -173.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.34 41.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.2 175.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -124.26 138.68 54.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.171 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 84.2 mt -124.56 112.49 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.232 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.29 9.84 85.45 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -175.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.17 -25.46 27.12 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.18 142.15 29.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.779 0.323 . . . . 0.0 111.248 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 92.9 t -72.96 126.31 33.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.198 179.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 m -109.69 -20.93 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.43 180.0 46.3 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.2 p -134.07 155.71 49.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.797 0.332 . . . . 0.0 111.244 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.61 103.91 2.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -65.48 -39.67 92.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.253 178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -162.86 163.78 26.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.66 147.36 17.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.163 178.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 68.6 t -123.63 113.95 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.209 -177.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 p90 -171.61 153.91 3.58 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -79.8 -158.32 1.69 Allowed 'Cis proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.719 -2.2 . . . . 0.0 111.213 -5.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.71 -49.04 3.35 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -123.75 -170.57 2.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 0.0 111.191 166.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -151.52 69.13 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.62 149.69 37.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 179.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -146.87 149.56 33.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -110.56 114.32 27.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.148 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -104.39 117.28 49.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.21 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.5 t -85.05 125.13 32.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.213 -178.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.08 153.65 21.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 -178.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.4 p -83.97 170.41 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 176.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 86.6 p -69.12 -16.23 63.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -175.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.94 -10.96 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -100.9 149.71 23.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.199 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 98.8 m -114.09 116.96 29.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 178.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.6 tp -87.75 116.64 26.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -177.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.5 mt -115.77 143.44 30.72 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.226 -175.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -77.76 58.7 6.55 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.69 1.594 . . . . 0.0 111.189 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 91.1 mmt-85 -140.24 154.95 47.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.187 -174.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 93.7 t -125.7 131.61 71.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.52 135.4 57.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.208 178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -135.1 76.15 1.61 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.187 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 65.64 -107.53 1.97 Allowed Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 88.9 p -97.8 -3.12 39.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 174.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.9 t -115.73 -158.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.216 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -151.54 161.39 42.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.208 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 96.7 t -119.67 135.3 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.189 176.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 96.7 m -80.16 125.67 30.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.218 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 92.8 t -84.93 116.33 28.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.223 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -107.78 -33.64 7.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 -175.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -177.18 -165.87 33.15 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.6 t -149.75 82.5 1.4 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.819 0.343 . . . . 0.0 111.216 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.4 p -86.77 164.85 16.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 170.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -98.63 119.08 36.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -174.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -83.48 157.98 22.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 173.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -114.04 171.46 7.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 77.4 t -60.89 127.82 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 104.28 -19.73 42.12 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.189 -0.765 . . . . 0.0 111.189 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.01 144.38 47.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.818 0.342 . . . . 0.0 111.161 179.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -83.46 122.08 28.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 176.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -129.24 132.53 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 111' ' ' CYS . 73.3 m -97.3 175.54 6.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.5 ttt-85 -145.65 142.01 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 46.9 t -117.67 98.93 6.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.197 -174.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -119.99 -163.13 12.1 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -125.62 -39.84 2.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.821 0.344 . . . . 0.0 111.222 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 95.0 m -64.6 -46.88 80.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -178.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 71.3 p -107.9 10.83 28.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 68.53 -142.65 39.14 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 175.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -97.31 84.56 3.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.202 -178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -75.34 157.49 34.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 173.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' CYS . . . . . 0.48 ' HA ' ' HA ' ' A' ' 101' ' ' CYS . 33.7 t -162.14 135.91 6.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.218 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -155.71 -137.91 2.45 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 66.8 p -136.27 166.41 23.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.801 0.334 . . . . 0.0 111.252 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -89.95 123.83 42.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 60.7 p -96.95 -30.06 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.199 -175.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -161.9 154.0 19.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 60.9 mtpt -127.71 164.91 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 174.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 61.37 45.03 8.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 -178.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 88.9 t -92.38 136.97 23.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 94.2 m -100.98 124.38 46.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 173.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.08 50.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -93.89 111.33 23.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.166 -178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 178.15 5.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.64 96.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.218 -177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 51.9 tp10 -76.86 -42.07 41.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 173.09 -175.2 46.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -75.84 145.05 40.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 111.205 -177.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 90.9 t -123.47 127.83 74.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.214 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -115.85 143.2 45.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.19 -172.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 99.36 25.82 9.15 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 176.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 91.3 mt -87.91 149.77 23.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 -178.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 95.5 m -100.36 127.29 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.213 173.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -99.75 106.0 17.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.239 -175.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -106.41 -149.99 17.45 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -151.17 51.56 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.832 0.348 . . . . 0.0 111.194 -178.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.25 158.0 15.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' CYS . . . . . 0.503 ' HA ' ' HB2' ' A' ' 169' ' ' ASN . 46.6 t -101.13 127.4 47.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.218 -177.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.14 156.23 40.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.21 178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . -125.29 -163.89 11.72 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -65.48 128.02 34.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 111.23 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 98.57 -17.72 58.0 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 78.2 m-20 -88.97 -20.13 24.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.78 0.324 . . . . 0.0 111.203 -176.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 40.5 t -58.68 132.42 53.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 173.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . . . . . . . . . . . 98.53 -1.92 58.74 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -169.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -67.84 163.04 47.76 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -176.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' SER . . . . . . . . . . . . . 40.2 t -83.48 127.22 33.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.773 0.32 . . . . 0.0 111.232 -174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -100.11 104.78 16.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 20.2 tt -148.02 137.66 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.231 -168.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 45.6 p -80.31 167.87 19.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.193 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' SER . . . . . . . . . . . . . 86.5 p -68.88 -15.49 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.202 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -81.73 -3.91 54.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.191 177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 85.61 23.11 48.14 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -104.73 105.52 15.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.746 0.308 . . . . 0.0 111.199 -178.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ALA . . . . . . . . . . . . . . . -71.39 144.87 49.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.159 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -118.69 -44.97 2.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.196 -173.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -178.0 -163.47 29.67 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 91.0 t -127.27 134.59 65.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 -176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' MET . . . . . . . . . . . . . 55.6 tpp -59.35 136.2 57.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.216 -178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.4 t -122.88 -81.08 0.64 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.207 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLY . . . . . . . . . . . . . . . -123.45 -163.57 11.8 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . . . . . . . . . . . 167.03 -179.23 40.88 Favored Glycine 0 CA--C 1.523 0.569 0 N-CA-C 111.229 -0.749 . . . . 0.0 111.229 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -82.47 66.7 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.796 0.331 . . . . 0.0 111.228 -177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' VAL . . . . . . . . . . . . . 82.7 t -66.74 129.03 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.199 -173.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -97.27 -177.09 3.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 -177.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' SER . . . . . . . . . . . . . 90.5 p -67.2 -14.73 63.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.23 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -73.3 -12.78 60.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . 92.01 9.38 62.36 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -178.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ASN . . . . . . . . . . . . . 25.7 p30 -164.47 -171.32 2.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.348 . . . . 0.0 111.183 -177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASN . . . . . 0.503 ' HB2' ' HA ' ' A' ' 137' ' ' CYS . 75.5 m-20 -99.9 15.66 26.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.194 -178.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' CYS . . . . . . . . . . . . . 90.4 m -100.47 148.12 25.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.189 177.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . 92.37 13.98 56.42 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 -173.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' ILE . . . . . 0.436 HG13 ' HD2' ' A' ' 173' ' ' PRO . 20.9 tt -143.41 138.38 15.44 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -178.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 172' ' ' ILE . 96.7 Cg_exo -53.38 146.4 41.38 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.721 1.614 . . . . 0.0 111.19 -177.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.54 -19.31 65.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.192 -173.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 79.7 p -65.65 -20.38 66.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.208 177.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -109.12 -18.99 13.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -64.21 134.42 54.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 44.7 t -154.24 145.01 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' SER . . . . . . . . . . . . . 89.3 p -144.52 152.2 40.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 177.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 81.8 mt -115.42 144.59 43.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -132.67 143.48 49.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -176.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' GLU . . . . . . . . . . . . . 45.7 tp10 -90.61 130.61 36.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.197 170.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -63.5 131.75 49.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 -174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LEU . . . . . 0.48 HD23 ' C ' ' A' ' 184' ' ' LEU . 10.1 tt -68.95 -44.47 72.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' GLN . . . . . 0.601 ' N ' ' HD2' ' A' ' 186' ' ' PRO . 94.2 mt-30 -62.21 -47.79 89.23 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.2 -164.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 185' ' ' GLN . 71.7 Cg_endo -77.34 -13.3 16.88 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.768 1.646 . . . . 0.0 111.179 -172.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ILE . . . . . 0.443 HG21 HG11 ' A' ' 32' ' ' VAL . 96.6 mt -67.06 -44.79 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 168.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.2 -38.31 86.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 179.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' SER . . . . . . . . . . . . . 86.5 p -75.74 -26.65 57.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -67.83 -41.89 82.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -102.35 -18.15 15.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -174.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLY . . . . . . . . . . . . . . . 80.43 45.47 7.99 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' LEU . . . . . . . . . . . . . 51.9 mt -113.06 158.16 20.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.756 0.312 . . . . 0.0 111.204 -173.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' SER . . . . . . . . . . . . . 35.5 t -108.24 129.66 55.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.227 176.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 45.7 tp -66.45 124.13 21.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.207 177.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 96.5 t -81.49 113.1 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.213 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' THR . . . . . . . . . . . . . 33.5 p -127.51 173.88 9.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.287 . . . . . . . . 0 0 . 1 stop_ save_