data_2l15_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 2l15 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.864 0.364 . . . . 50.509999999999998 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.509999999999998 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.509999999999998 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.549999999999997 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.509999999999998 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.509999999999998 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.509999999999998 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.509999999999998 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.509999999999998 111.206 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.509999999999998 111.199 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.619999999999997 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.509999999999998 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.509999999999998 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.619999999999997 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.232 173.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.509999999999998 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.549999999999997 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.549999999999997 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.619999999999997 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.509999999999998 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.549999999999997 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.196 -172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.129 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.688 0.28 . . . . 50.509999999999998 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.549999999999997 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.185 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.933 0.397 . . . . 50.509999999999998 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.509999999999998 111.186 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.509999999999998 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.509999999999998 111.272 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.509999999999998 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.549999999999997 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.619999999999997 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.509999999999998 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.509999999999998 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.509999999999998 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.509999999999998 111.267 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.509999999999998 111.154 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.285 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.509999999999998 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.509999999999998 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.184 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.549999999999997 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.509999999999998 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.509999999999998 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.619999999999997 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.619999999999997 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.509999999999998 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.191 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.193 -171.755 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.84 0.352 . . . . 50.509999999999998 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.549999999999997 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG22 HG21 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.753 0.311 . . . . 50.509999999999998 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.509999999999998 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.509999999999998 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.509999999999998 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.549999999999997 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.619999999999997 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.509999999999998 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.509999999999998 111.197 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.619999999999997 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.509999999999998 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.509999999999998 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.237 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.511 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.549999999999997 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.619999999999997 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.509999999999998 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.509999999999998 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.549999999999997 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.509999999999998 111.186 179.356 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.878 0.371 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.509999999999998 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.231 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 50.509999999999998 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.509999999999998 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.509999999999998 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.549999999999997 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.619999999999997 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.509999999999998 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.509999999999998 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.509999999999998 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.509999999999998 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.619999999999997 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.509999999999998 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.215 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.619999999999997 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.549999999999997 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.549999999999997 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.509999999999998 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB3' HG22 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.619999999999997 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.509999999999998 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.549999999999997 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.509999999999998 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.6 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 50.509999999999998 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.509999999999998 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.549999999999997 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.509999999999998 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.509999999999998 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.509999999999998 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.549999999999997 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.619999999999997 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.145 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.509999999999998 111.258 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.619999999999997 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.509999999999998 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.619999999999997 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.652 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.509999999999998 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.549999999999997 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.619999999999997 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.509999999999998 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.549999999999997 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.128 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.833 0.349 . . . . 50.509999999999998 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.509999999999998 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.549999999999997 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.509999999999998 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.509999999999998 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.509999999999998 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.509999999999998 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.549999999999997 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.619999999999997 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.509999999999998 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.509999999999998 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.509999999999998 111.196 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.509999999999998 111.135 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.619999999999997 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.509999999999998 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.509999999999998 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.509999999999998 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.549999999999997 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.619999999999997 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.509999999999998 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.619999999999997 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.549999999999997 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.509999999999998 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.204 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 50.509999999999998 111.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.549999999999997 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.509999999999998 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.509999999999998 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.811 0.339 . . . . 50.509999999999998 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.509999999999998 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.509999999999998 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.509999999999998 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.175 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.509999999999998 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.509999999999998 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.509999999999998 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.509999999999998 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.172 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.233 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.619999999999997 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.619999999999997 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.509999999999998 111.199 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.619999999999997 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.509999999999998 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.509999999999998 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB2' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.549999999999997 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.549999999999997 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.509999999999998 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.228 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.619999999999997 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.619999999999997 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.549999999999997 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.509999999999998 111.162 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.167 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.509999999999998 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.549999999999997 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.772 0.32 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.509999999999998 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.509999999999998 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' ' 45' ' ' LEU . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.202 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.549999999999997 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.619999999999997 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.509999999999998 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.509999999999998 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.509999999999998 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.202 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.509999999999998 111.216 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.619999999999997 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.509999999999998 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.619999999999997 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.509999999999998 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.509999999999998 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.509999999999998 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HB3' HG22 ' A' ' 9' ' ' VAL . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.208 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.619999999999997 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.509999999999998 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.21 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 50.509999999999998 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.509999999999998 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.549999999999997 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.509999999999998 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.509999999999998 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 50.509999999999998 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.509999999999998 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.509999999999998 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.549999999999997 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.619999999999997 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.509999999999998 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.235 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.509999999999998 111.285 -176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.619999999999997 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.509999999999998 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.619999999999997 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.509999999999998 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.269 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.549999999999997 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.549999999999997 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.509999999999998 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.509999999999998 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.619999999999997 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.509999999999998 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.509999999999998 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.152 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.549999999999997 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.27 -174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.509999999999998 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 50.509999999999998 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.509999999999998 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.549999999999997 111.225 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.265 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.509999999999998 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.619999999999997 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.509999999999998 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.619999999999997 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.509999999999998 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.549999999999997 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.549999999999997 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.509999999999998 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.509999999999998 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.549999999999997 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.509999999999998 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.172 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.86 0.362 . . . . 50.509999999999998 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.509999999999998 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.549999999999997 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.165 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -77.82 155.11 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.195 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.17 151.61 18.4 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.179 -0.768 . . . . 50.509999999999998 111.179 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.95 137.81 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 50.509999999999998 111.128 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.509999999999998 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.509999999999998 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.549999999999997 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.509999999999998 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.509999999999998 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.509999999999998 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.509999999999998 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.509999999999998 111.206 179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.509999999999998 111.199 -176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.619999999999997 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.509999999999998 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.509999999999998 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.619999999999997 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.232 173.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.509999999999998 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.549999999999997 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.549999999999997 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.619999999999997 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.509999999999998 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.549999999999997 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.196 -172.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.33 121.55 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.129 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -116.88 116.35 27.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 50.619999999999997 111.196 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.6 t -80.69 107.63 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.182 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.71 -168.7 22.56 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.177 -0.769 . . . . 50.509999999999998 111.177 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.21 -27.41 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 50.509999999999998 111.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.41 4.99 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.219 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -172.46 18.82 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.183 -0.767 . . . . 50.509999999999998 111.183 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.87 128.38 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.706 1.604 . . . . 50.509999999999998 111.226 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.04 139.03 51.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.245 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.549999999999997 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.185 -175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 50.509999999999998 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -71.52 169.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.132 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.48 9.87 71.38 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -90.1 155.69 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 50.509999999999998 111.095 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.509999999999998 111.186 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.509999999999998 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.509999999999998 111.272 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG23 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.509999999999998 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.549999999999997 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.619999999999997 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.509999999999998 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.509999999999998 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.431 HG12 HG23 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.509999999999998 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.509999999999998 111.267 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.509999999999998 111.154 -176.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.285 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG21 HG22 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.509999999999998 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.509999999999998 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.184 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.549999999999997 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.509999999999998 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.509999999999998 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.619999999999997 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.619999999999997 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.509999999999998 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.191 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt -116.89 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.193 -171.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -133.28 110.13 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.22 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -75.44 169.32 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.274 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.46 179.74 40.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.199 -0.76 . . . . 50.509999999999998 111.199 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.59 72.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 50.509999999999998 111.121 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.89 16.95 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 50.509999999999998 111.149 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.04 -163.93 29.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.135 -0.786 . . . . 50.509999999999998 111.135 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_endo -74.32 150.4 95.48 Favored 'Cis proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.703 -2.207 . . . . 50.509999999999998 111.223 -1.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.58 144.95 43.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.214 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.549999999999997 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG22 HG21 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -82.03 171.48 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 111.188 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.99 -154.89 31.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.63 145.22 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 50.509999999999998 111.244 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.509999999999998 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.509999999999998 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.509999999999998 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.549999999999997 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.619999999999997 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.509999999999998 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.509999999999998 111.197 -176.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.619999999999997 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.509999999999998 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.509999999999998 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.237 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.511 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.549999999999997 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.619999999999997 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.509999999999998 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.509999999999998 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.549999999999997 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm -109.97 119.49 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.509999999999998 111.186 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -129.5 147.42 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.19 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -88.6 106.36 18.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.23 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.41 -165.23 29.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -26.92 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 50.509999999999998 111.215 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -96.22 4.87 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 50.509999999999998 111.216 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.37 -173.87 25.51 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.194 -0.763 . . . . 50.509999999999998 111.194 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.26 130.27 39.76 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.714 1.609 . . . . 50.509999999999998 111.252 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.01 37.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.164 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.509999999999998 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.231 -178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.915 0.388 . . . . 50.509999999999998 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -63.72 140.48 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.207 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.5 -169.52 29.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.08 135.72 39.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 50.509999999999998 111.183 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.509999999999998 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.509999999999998 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.549999999999997 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.619999999999997 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.509999999999998 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.509999999999998 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.509999999999998 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.509999999999998 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.619999999999997 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.509999999999998 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.215 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.619999999999997 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.549999999999997 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.549999999999997 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.509999999999998 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.418 ' HB3' HG22 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.619999999999997 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.509999999999998 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.549999999999997 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.509999999999998 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt -93.21 120.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -134.22 111.49 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 50.619999999999997 111.191 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -76.6 112.8 13.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.182 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.25 -161.63 17.19 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.249 -0.74 . . . . 50.509999999999998 111.249 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.11 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 50.509999999999998 111.178 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 5.11 52.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.147 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.65 -170.32 24.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.165 -0.774 . . . . 50.509999999999998 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -54.66 119.62 6.74 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.793 1.662 . . . . 50.509999999999998 111.122 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -115.59 146.02 42.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.509999999999998 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.549999999999997 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.871 0.367 . . . . 50.509999999999998 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -61.94 135.49 57.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.16 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.54 -178.11 27.27 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.61 122.33 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.212 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.509999999999998 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.509999999999998 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.509999999999998 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.549999999999997 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.619999999999997 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.145 -178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.509999999999998 111.258 -178.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.619999999999997 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.509999999999998 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.619999999999997 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.652 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.509999999999998 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.549999999999997 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.619999999999997 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.509999999999998 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.549999999999997 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.78 112.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.128 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -124.99 146.26 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 50.619999999999997 111.206 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -76.36 120.18 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 50.509999999999998 111.22 -179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.95 -164.0 13.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -26.26 68.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.165 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.04 15.23 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.163 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.4 -176.79 32.99 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.271 -0.731 . . . . 50.509999999999998 111.271 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_exo -58.34 131.33 42.29 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.785 1.657 . . . . 50.509999999999998 111.15 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.28 153.17 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.173 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.509999999999998 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.549999999999997 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.509999999999998 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 50.509999999999998 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -80.02 171.8 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.156 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.75 179.04 20.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.747 . . . . 50.509999999999998 111.231 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.2 137.38 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.199 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.509999999999998 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.509999999999998 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.509999999999998 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.549999999999997 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.619999999999997 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.509999999999998 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.509999999999998 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.509999999999998 111.196 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.509999999999998 111.135 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.619999999999997 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.509999999999998 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.509999999999998 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.509999999999998 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.549999999999997 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.619999999999997 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.509999999999998 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.619999999999997 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.549999999999997 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.509999999999998 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -107.47 124.98 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.204 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -130.03 147.56 51.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 50.619999999999997 111.165 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -86.97 104.01 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.168 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.95 -164.57 30.08 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.208 -0.757 . . . . 50.509999999999998 111.208 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.13 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.06 5.67 51.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.272 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 -170.0 25.97 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.166 -0.774 . . . . 50.509999999999998 111.166 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.83 128.96 32.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.688 1.592 . . . . 50.509999999999998 111.165 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.22 146.44 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.232 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.549999999999997 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.509999999999998 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.509999999999998 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -76.62 167.75 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.166 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.7 -169.79 13.06 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.775 . . . . 50.509999999999998 111.161 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.07 131.66 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 50.509999999999998 111.202 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.509999999999998 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.509999999999998 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.509999999999998 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.175 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.509999999999998 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.509999999999998 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.509999999999998 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.509999999999998 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.172 -179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.233 172.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.619999999999997 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.619999999999997 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.509999999999998 111.199 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.619999999999997 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.509999999999998 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.509999999999998 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' HB2' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.549999999999997 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.549999999999997 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.509999999999998 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.228 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.619999999999997 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.619999999999997 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.549999999999997 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt -121.08 125.17 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.509999999999998 111.162 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.06 147.48 51.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 50.619999999999997 111.188 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -83.94 105.43 14.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.268 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.6 -164.95 29.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 50.509999999999998 111.242 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.65 68.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 50.509999999999998 111.136 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.62 14.11 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.213 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.33 -170.42 31.36 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 50.509999999999998 111.191 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.22 129.02 32.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.756 1.637 . . . . 50.509999999999998 111.228 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.39 151.52 41.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 50.509999999999998 111.167 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.509999999999998 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.428 ' HA2' ' HB2' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.549999999999997 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.808 0.337 . . . . 50.509999999999998 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -75.12 168.02 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 50.509999999999998 111.187 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.16 18.17 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -74.99 112.4 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 50.509999999999998 111.164 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.509999999999998 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.509999999999998 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.409 HG22 ' HB3' ' A' ' 45' ' ' LEU . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.202 -177.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.549999999999997 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.619999999999997 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.509999999999998 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.509999999999998 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.509999999999998 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.202 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.509999999999998 111.216 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.619999999999997 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.509999999999998 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.619999999999997 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.509999999999998 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.509999999999998 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.509999999999998 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HB3' HG22 ' A' ' 9' ' ' VAL . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.208 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.619999999999997 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.509999999999998 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt -90.98 125.46 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.21 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -133.07 108.71 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 50.619999999999997 111.221 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 42.1 t -65.66 125.2 24.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.218 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.57 -167.47 12.98 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.263 -0.735 . . . . 50.509999999999998 111.263 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.21 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 50.509999999999998 111.194 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.01 5.05 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.129 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.55 -174.93 21.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.75 124.13 15.45 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.681 1.588 . . . . 50.509999999999998 111.227 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.14 139.42 48.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.208 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.509999999999998 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.549999999999997 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.509999999999998 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.509999999999998 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -75.0 171.61 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.254 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.89 -173.0 18.82 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.18 -0.768 . . . . 50.509999999999998 111.18 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.08 141.61 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 50.509999999999998 111.191 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.509999999999998 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.509999999999998 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.549999999999997 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.619999999999997 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.509999999999998 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.403 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.235 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.509999999999998 111.285 -176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.619999999999997 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.509999999999998 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.619999999999997 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.509999999999998 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.269 -175.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.549999999999997 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.549999999999997 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.509999999999998 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.509999999999998 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.619999999999997 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.509999999999998 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.509999999999998 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt -107.0 121.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.94 121.67 40.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.619999999999997 111.182 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.1 p -72.34 169.39 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.248 179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.86 -175.25 46.99 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.162 -0.775 . . . . 50.509999999999998 111.162 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.62 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.178 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.13 4.24 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 50.509999999999998 111.175 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.69 163.16 36.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.263 -0.735 . . . . 50.509999999999998 111.263 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -55.37 122.65 12.1 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.671 1.581 . . . . 50.509999999999998 111.175 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.46 155.02 36.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.164 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.549999999999997 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.27 -174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.509999999999998 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.322 . . . . 50.509999999999998 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.2 p -69.16 164.77 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.22 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.36 -170.89 19.9 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 50.509999999999998 111.143 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.63 135.32 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 50.509999999999998 111.272 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.509999999999998 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.549999999999997 111.225 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.265 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.509999999999998 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.619999999999997 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.509999999999998 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.619999999999997 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.509999999999998 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' O ' ' CB ' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.549999999999997 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . 0.529 ' CB ' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.549999999999997 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.509999999999998 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' HG22 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.509999999999998 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.549999999999997 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.509999999999998 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.9 120.59 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.172 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -129.92 145.84 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.167 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -87.19 121.26 29.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.233 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.19 -162.62 13.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.31 -26.94 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 50.509999999999998 111.136 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.2 3.86 48.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 50.509999999999998 111.213 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.16 -173.34 25.24 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.154 -0.778 . . . . 50.509999999999998 111.154 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -57.93 132.56 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.697 1.598 . . . . 50.509999999999998 111.192 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.5 43.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.227 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.509999999999998 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.549999999999997 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.165 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.864 0.364 . . . . 50.51 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.51 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.51 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.51 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.55 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.51 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.51 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.51 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.51 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.51 111.206 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.51 111.199 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.62 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.62 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.51 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.51 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.62 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.232 173.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.51 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.51 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.55 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.55 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.51 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.51 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.51 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.62 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.51 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.55 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.51 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.196 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.51 111.129 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.688 0.28 . . . . 50.51 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.51 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.55 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 53' ' ' PHE . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.51 111.185 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.933 0.397 . . . . 50.51 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 23' ' ' PRO . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.51 111.186 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.51 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.413 HG12 ' HG2' ' A' ' 50' ' ' LYS . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.51 111.272 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.51 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.55 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.62 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.51 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.51 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.51 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.51 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.51 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.51 111.267 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.51 111.154 -176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.62 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.51 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.51 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.285 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.51 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.51 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.51 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.51 111.184 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.55 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.51 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.51 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.51 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.62 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.62 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.51 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.55 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 8' ' ' ILE . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.191 173.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.51 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.51 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.193 -171.755 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.84 0.352 . . . . 50.51 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.51 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.55 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG21 HG23 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.753 0.311 . . . . 50.51 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.51 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.51 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.51 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.51 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.55 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.62 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.51 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.51 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.51 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.51 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.51 111.197 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.62 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.51 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.51 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.62 111.237 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.5 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.51 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.55 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.55 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.62 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.51 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.51 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.62 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.51 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.55 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 69' ' ' SER . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.231 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.51 111.186 179.356 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.878 0.371 . . . . 50.51 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.51 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.51 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.55 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 51' ' ' VAL . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.231 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 50.51 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.51 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.51 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.51 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.51 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.55 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.62 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.51 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.51 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.51 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.51 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.51 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.62 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.51 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.51 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.215 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.62 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.51 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.55 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.55 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.62 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.51 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.51 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.62 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.62 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.51 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.55 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.51 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.231 -174.6 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 50.51 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.51 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.55 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.825 0.345 . . . . 50.51 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.51 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.51 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.51 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.55 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.51 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.62 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.51 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.51 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.51 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.51 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.145 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.51 111.258 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.62 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.62 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.51 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.51 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.62 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.64 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.51 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.55 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.62 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.51 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.51 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.51 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.62 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.51 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.55 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.51 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.128 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.833 0.349 . . . . 50.51 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.51 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.51 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.55 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.51 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.782 0.325 . . . . 50.51 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.51 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.51 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.51 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.51 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.51 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.55 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.62 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.51 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.51 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.51 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.51 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.51 111.196 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.51 111.135 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.62 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.51 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.51 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.62 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.51 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.55 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.55 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.62 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.51 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.51 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.62 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.62 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.51 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.55 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.51 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.204 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 50.51 111.232 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.51 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.55 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.51 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.51 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.811 0.339 . . . . 50.51 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.51 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.51 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.51 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 45' ' ' LEU . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.175 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.55 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.51 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.51 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.51 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.51 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.51 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.172 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.655 ' HD2' ' O ' ' A' ' 27' ' ' SER . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.51 111.233 172.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.62 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.62 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.51 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.655 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.51 111.199 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.62 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.51 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.51 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB1' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.55 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.55 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.51 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.51 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 9' ' ' VAL . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.62 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.62 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.51 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.55 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.51 111.162 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.338 . . . . 50.51 111.167 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.51 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA2' ' HB1' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.51 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.55 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.772 0.32 . . . . 50.51 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.51 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.51 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.51 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.202 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.55 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.62 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.51 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.51 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.51 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.51 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.51 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.202 177.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.51 111.216 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.62 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.62 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.51 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.51 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.62 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.51 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.51 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.62 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.51 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.51 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.208 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.62 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.51 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.55 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.21 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 50.51 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.51 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.55 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.51 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.51 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 50.51 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.51 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.51 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.51 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.51 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.55 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.62 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.51 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.51 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.51 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.51 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.51 111.235 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.51 111.285 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.62 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.51 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.51 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.62 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.51 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.51 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.269 -175.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.55 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.55 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.62 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.51 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.51 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.62 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.51 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.55 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.51 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.51 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.152 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 50.51 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.51 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.55 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 37' ' ' ILE . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.27 -174.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.51 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 50.51 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.51 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.51 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.51 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.51 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.55 111.225 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.62 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 13' ' ' ASN . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.265 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.51 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.51 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.51 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.51 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.51 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.62 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.62 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.51 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.51 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.62 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.51 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.51 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.743 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.55 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.55 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.62 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.51 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.51 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.51 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.62 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.51 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.55 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.51 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.51 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.172 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.86 0.362 . . . . 50.51 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.51 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.55 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.51 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.165 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 50.51 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -77.82 155.11 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.195 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.17 151.61 18.4 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.179 -0.768 . . . . 50.51 111.179 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.95 137.81 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 50.51 111.128 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.51 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.51 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.51 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.55 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.51 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.51 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.51 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.51 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.51 111.206 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.51 111.199 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.62 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.62 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.51 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.51 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.62 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.232 173.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.51 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.51 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.55 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.55 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.51 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.51 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.51 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.62 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.51 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.55 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.51 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.196 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.33 121.55 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.51 111.129 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -116.88 116.35 27.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 50.62 111.196 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.6 t -80.69 107.63 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.182 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.71 -168.7 22.56 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.177 -0.769 . . . . 50.51 111.177 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.21 -27.41 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 50.51 111.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.41 4.99 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.219 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -172.46 18.82 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.183 -0.767 . . . . 50.51 111.183 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.87 128.38 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.706 1.604 . . . . 50.51 111.226 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.04 139.03 51.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.245 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.51 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.55 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 53' ' ' PHE . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.51 111.185 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 50.51 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -71.52 169.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.132 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.48 9.87 71.38 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 50.51 111.217 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -90.1 155.69 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 50.51 111.095 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 23' ' ' PRO . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.51 111.186 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.51 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG12 ' HG2' ' A' ' 50' ' ' LYS . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.51 111.272 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.51 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.55 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.62 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.51 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.51 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.51 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.51 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.51 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.51 111.267 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.51 111.154 -176.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.62 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.51 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.51 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' HA ' ' HG2' ' A' ' 62' ' ' PRO . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.285 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.51 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.51 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.51 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.51 111.184 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.55 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.51 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.51 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.51 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.62 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.62 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.51 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.55 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 8' ' ' ILE . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.191 173.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.51 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.51 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt -116.89 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.193 -171.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -133.28 110.13 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 50.62 111.22 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -75.44 169.32 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.274 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.46 179.74 40.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.199 -0.76 . . . . 50.51 111.199 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.59 72.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 50.51 111.121 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.89 16.95 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 50.51 111.149 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.04 -163.93 29.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.135 -0.786 . . . . 50.51 111.135 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 67.1 Cg_endo -74.32 150.4 95.48 Favored 'Cis proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.703 -2.207 . . . . 50.51 111.223 -1.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.58 144.95 43.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.214 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.51 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.55 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG21 HG23 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 50.51 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -82.03 171.48 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.51 111.188 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.99 -154.89 31.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 50.51 111.182 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.63 145.22 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 50.51 111.244 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.51 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.51 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.51 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.51 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.55 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.62 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.51 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.51 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.51 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.51 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.51 111.197 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.62 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.51 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.51 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.62 111.237 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.5 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.51 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.55 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.55 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.62 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.51 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.51 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.62 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.51 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.55 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 69' ' ' SER . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.231 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm -109.97 119.49 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.51 111.186 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -129.5 147.42 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.19 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -88.6 106.36 18.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 50.51 111.23 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.41 -165.23 29.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 50.51 111.167 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -26.92 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 50.51 111.215 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -96.22 4.87 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 50.51 111.216 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.37 -173.87 25.51 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.194 -0.763 . . . . 50.51 111.194 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.26 130.27 39.76 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.714 1.609 . . . . 50.51 111.252 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.01 37.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 50.51 111.164 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.51 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.51 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.55 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 51' ' ' VAL . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.231 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.915 0.388 . . . . 50.51 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -63.72 140.48 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.207 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.5 -169.52 29.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 50.51 111.23 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.08 135.72 39.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 50.51 111.183 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.51 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.51 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.51 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.51 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.55 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.62 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.51 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.51 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.51 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.51 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.51 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.62 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.51 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.51 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.215 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.62 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.51 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.55 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.55 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.62 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.51 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.51 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.62 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.62 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.51 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.55 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.51 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt -93.21 120.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.231 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -134.22 111.49 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 50.62 111.191 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -76.6 112.8 13.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 50.51 111.182 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.25 -161.63 17.19 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.249 -0.74 . . . . 50.51 111.249 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.11 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 50.51 111.178 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 5.11 52.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.147 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.65 -170.32 24.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.165 -0.774 . . . . 50.51 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 28' ' ' LYS . 78.0 Cg_exo -54.66 119.62 6.74 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.793 1.662 . . . . 50.51 111.122 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -115.59 146.02 42.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.51 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.55 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.871 0.367 . . . . 50.51 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -61.94 135.49 57.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.16 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.54 -178.11 27.27 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.219 -0.752 . . . . 50.51 111.219 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.61 122.33 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 50.51 111.212 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.51 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.51 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.51 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.55 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.51 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.62 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.51 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.51 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.51 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.51 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.145 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.51 111.258 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.62 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.62 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.51 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.51 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.62 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.64 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.51 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.55 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.62 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.51 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.51 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.51 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.51 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.62 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.51 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.55 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.51 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.51 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.78 112.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.128 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -124.99 146.26 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 50.62 111.206 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 31.2 t -76.36 120.18 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 50.51 111.22 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.95 -164.0 13.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.205 -0.758 . . . . 50.51 111.205 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -26.26 68.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 50.51 111.165 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.04 15.23 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.163 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.4 -176.79 32.99 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.271 -0.731 . . . . 50.51 111.271 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 65.7 Cg_exo -58.34 131.33 42.29 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.785 1.657 . . . . 50.51 111.15 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.28 153.17 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.173 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.51 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.51 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.55 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.51 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 50.51 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -80.02 171.8 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.156 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.75 179.04 20.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.747 . . . . 50.51 111.231 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.2 137.38 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 50.51 111.199 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.51 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.51 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.51 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.51 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.51 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.55 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.62 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.51 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.51 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.51 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.51 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.51 111.196 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.51 111.135 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.62 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.51 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.51 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.62 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.51 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.51 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.55 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.55 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.62 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.51 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.51 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.62 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.62 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.51 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.55 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.51 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -107.47 124.98 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.204 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -130.03 147.56 51.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 50.62 111.165 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -86.97 104.01 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.168 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.95 -164.57 30.08 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.208 -0.757 . . . . 50.51 111.208 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 50.51 111.13 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.06 5.67 51.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.272 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 -170.0 25.97 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.166 -0.774 . . . . 50.51 111.166 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.83 128.96 32.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.688 1.592 . . . . 50.51 111.165 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.22 146.44 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.232 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.51 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.55 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.51 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.51 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.829 0.347 . . . . 50.51 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -76.62 167.75 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.166 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.7 -169.79 13.06 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.775 . . . . 50.51 111.161 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.07 131.66 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 50.51 111.202 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.51 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.51 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.51 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 45' ' ' LEU . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.175 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.55 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.51 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.51 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.51 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.51 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.51 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.172 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.655 ' HD2' ' O ' ' A' ' 27' ' ' SER . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.51 111.233 172.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.62 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.62 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.51 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.655 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.51 111.199 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.62 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.51 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.51 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.51 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB1' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.55 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.55 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.51 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.51 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 9' ' ' VAL . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.62 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.62 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.51 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.55 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt -121.08 125.17 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.51 111.162 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.06 147.48 51.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 50.62 111.188 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -83.94 105.43 14.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.268 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.6 -164.95 29.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 50.51 111.242 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.65 68.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 50.51 111.136 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.62 14.11 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 50.51 111.213 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.33 -170.42 31.36 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 50.51 111.191 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.22 129.02 32.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.756 1.637 . . . . 50.51 111.228 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.39 151.52 41.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 50.51 111.167 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.51 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA2' ' HB1' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.51 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.55 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.808 0.337 . . . . 50.51 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -75.12 168.02 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 50.51 111.187 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.16 18.17 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.192 -0.763 . . . . 50.51 111.192 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -74.99 112.4 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 50.51 111.164 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.51 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.51 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.51 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.202 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.55 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.62 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.51 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.51 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.51 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.51 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.51 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.202 177.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.51 111.216 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.62 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.62 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.51 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.51 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.62 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.51 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.51 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.62 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.51 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.51 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.208 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.62 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.51 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.55 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt -90.98 125.46 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.21 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -133.07 108.71 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 50.62 111.221 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 42.1 t -65.66 125.2 24.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.218 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.57 -167.47 12.98 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.263 -0.735 . . . . 50.51 111.263 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.21 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 50.51 111.194 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.01 5.05 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.129 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.55 -174.93 21.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.188 -0.765 . . . . 50.51 111.188 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 76.2 Cg_exo -54.75 124.13 15.45 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.681 1.588 . . . . 50.51 111.227 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.14 139.42 48.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.208 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.51 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.55 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.51 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.51 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 50.51 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -75.0 171.61 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.254 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.89 -173.0 18.82 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.18 -0.768 . . . . 50.51 111.18 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.08 141.61 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 50.51 111.191 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.51 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.51 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.51 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.51 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.55 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.62 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.51 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.51 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.51 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.51 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.51 111.235 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.51 111.285 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.62 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.51 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.51 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.62 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.51 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.51 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.269 -175.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.55 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.55 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.62 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.51 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.51 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.62 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.51 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.55 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.51 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.51 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt -107.0 121.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.94 121.67 40.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.62 111.182 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 86.1 p -72.34 169.39 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.248 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.86 -175.25 46.99 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.162 -0.775 . . . . 50.51 111.162 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.62 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 50.51 111.178 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.13 4.24 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 50.51 111.175 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.69 163.16 36.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.263 -0.735 . . . . 50.51 111.263 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 73.5 Cg_exo -55.37 122.65 12.1 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.671 1.581 . . . . 50.51 111.175 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.46 155.02 36.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.164 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.51 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.55 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 37' ' ' ILE . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.27 -174.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.51 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.517 ' O ' ' HG ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.322 . . . . 50.51 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . 86.2 p -69.16 164.77 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.22 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.36 -170.89 19.9 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 50.51 111.143 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.63 135.32 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 50.51 111.272 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.51 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.51 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.51 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.51 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.55 111.225 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.51 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.62 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 13' ' ' ASN . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.265 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.51 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.51 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.51 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.51 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.51 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.62 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.62 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.51 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.51 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.62 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.51 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.51 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.51 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.743 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.55 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.55 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.62 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.51 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.51 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.51 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.62 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.51 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.55 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.51 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.51 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 2' ' ' SER . 49.6 mm -104.9 120.59 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.172 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -129.92 145.84 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 50.62 111.167 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -87.19 121.26 29.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.233 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.19 -162.62 13.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.195 -0.762 . . . . 50.51 111.195 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.31 -26.94 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 50.51 111.136 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.2 3.86 48.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.213 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.16 -173.34 25.24 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.154 -0.778 . . . . 50.51 111.154 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -57.93 132.56 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.697 1.598 . . . . 50.51 111.192 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.5 43.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.227 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.51 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.51 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.55 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.51 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.165 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.864 0.364 . . . . 50.509999999999998 111.128 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.509999999999998 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.509999999999998 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.549999999999997 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.509999999999998 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.509999999999998 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.509999999999998 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.509999999999998 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.509999999999998 111.206 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.509999999999998 111.199 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.619999999999997 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.509999999999998 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.509999999999998 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.619999999999997 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.719 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.232 173.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.509999999999998 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.549999999999997 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.549999999999997 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.619999999999997 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.509999999999998 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.549999999999997 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.196 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.129 -177.118 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.688 0.28 . . . . 50.509999999999998 111.245 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.549999999999997 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 53' ' ' PHE . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.185 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 CA--C 1.524 -0.051 0 CA-C-O 120.933 0.397 . . . . 50.509999999999998 111.095 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 23' ' ' PRO . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.509999999999998 111.186 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.509999999999998 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.413 HG12 ' HG2' ' A' ' 50' ' ' LYS . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.509999999999998 111.272 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.509999999999998 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.549999999999997 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.619999999999997 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.509999999999998 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.509999999999998 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.509999999999998 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.509999999999998 111.267 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.509999999999998 111.154 -176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.285 -177.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.509999999999998 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.509999999999998 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.184 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.549999999999997 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.509999999999998 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.509999999999998 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.619999999999997 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.619999999999997 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.509999999999998 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 8' ' ' ILE . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.191 173.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.193 -171.755 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.84 0.352 . . . . 50.509999999999998 111.214 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.549999999999997 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.415 HG21 HG23 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.753 0.311 . . . . 50.509999999999998 111.244 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.509999999999998 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.509999999999998 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.509999999999998 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.549999999999997 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.619999999999997 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.509999999999998 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.509999999999998 111.197 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.619999999999997 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.509999999999998 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.509999999999998 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.237 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.5 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.549999999999997 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.619999999999997 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.509999999999998 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.509999999999998 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.549999999999997 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 69' ' ' SER . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.509999999999998 111.186 179.356 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.878 0.371 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.509999999999998 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 51' ' ' VAL . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.231 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.74 0.305 . . . . 50.509999999999998 111.183 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.509999999999998 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.509999999999998 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.549999999999997 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.619999999999997 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.509999999999998 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.509999999999998 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.509999999999998 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.509999999999998 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.619999999999997 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.509999999999998 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.215 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.619999999999997 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.549999999999997 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.549999999999997 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.509999999999998 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.619999999999997 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.509999999999998 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.549999999999997 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.509999999999998 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.6 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.77 0.319 . . . . 50.509999999999998 111.249 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.509999999999998 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.549999999999997 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.509999999999998 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.509999999999998 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.509999999999998 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.549999999999997 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.619999999999997 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.145 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.509999999999998 111.258 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.619999999999997 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.509999999999998 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.619999999999997 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.64 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.509999999999998 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.549999999999997 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.619999999999997 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.509999999999998 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.549999999999997 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.128 179.664 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.833 0.349 . . . . 50.509999999999998 111.173 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.509999999999998 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.549999999999997 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.509999999999998 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.199 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.509999999999998 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.509999999999998 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.509999999999998 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.549999999999997 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.619999999999997 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.509999999999998 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.509999999999998 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.509999999999998 111.196 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.509999999999998 111.135 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.619999999999997 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.509999999999998 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.509999999999998 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.509999999999998 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.549999999999997 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.619999999999997 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.509999999999998 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.619999999999997 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.549999999999997 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.509999999999998 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.204 177.877 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.747 0.308 . . . . 50.509999999999998 111.232 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.549999999999997 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.509999999999998 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.509999999999998 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.811 0.339 . . . . 50.509999999999998 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.509999999999998 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.509999999999998 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.509999999999998 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 45' ' ' LEU . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.175 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.509999999999998 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.509999999999998 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.509999999999998 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.509999999999998 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.172 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.655 ' HD2' ' O ' ' A' ' 27' ' ' SER . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.233 172.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.619999999999997 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.619999999999997 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.655 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.509999999999998 111.199 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.619999999999997 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.509999999999998 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.509999999999998 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB1' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.549999999999997 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.549999999999997 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.509999999999998 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 9' ' ' VAL . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.619999999999997 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.619999999999997 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.549999999999997 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.509999999999998 111.162 177.696 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.167 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.509999999999998 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA2' ' HB1' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.549999999999997 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.772 0.32 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.509999999999998 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.509999999999998 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.202 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.549999999999997 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.619999999999997 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.509999999999998 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.509999999999998 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.509999999999998 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.202 177.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.509999999999998 111.216 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.619999999999997 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.509999999999998 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.619999999999997 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.509999999999998 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.509999999999998 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.509999999999998 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.208 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.619999999999997 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.509999999999998 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.21 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.794 0.33 . . . . 50.509999999999998 111.208 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.509999999999998 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.549999999999997 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.509999999999998 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.509999999999998 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.745 0.307 . . . . 50.509999999999998 111.191 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.509999999999998 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.509999999999998 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.549999999999997 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.619999999999997 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.509999999999998 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.235 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.509999999999998 111.285 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.619999999999997 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.509999999999998 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.619999999999997 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.509999999999998 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.269 -175.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.549999999999997 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.549999999999997 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.509999999999998 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.509999999999998 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.619999999999997 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.509999999999998 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.509999999999998 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.152 -179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.851 0.358 . . . . 50.509999999999998 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.549999999999997 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 37' ' ' ILE . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.27 -174.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.509999999999998 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.797 0.332 . . . . 50.509999999999998 111.272 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.509999999999998 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.549999999999997 111.225 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 13' ' ' ASN . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.265 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.509999999999998 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.619999999999997 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.509999999999998 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.619999999999997 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.509999999999998 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.743 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.549999999999997 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.549999999999997 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.509999999999998 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.509999999999998 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.549999999999997 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.509999999999998 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.6 mm . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.172 178.087 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.86 0.362 . . . . 50.509999999999998 111.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.509999999999998 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.549999999999997 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.165 178.245 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.169 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.5 p -77.82 155.11 31.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.195 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.17 151.61 18.4 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.179 -0.768 . . . . 50.509999999999998 111.179 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.95 137.81 34.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.864 0.364 . . . . 50.509999999999998 111.128 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 44.5 ttm -160.05 149.82 18.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.253 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.7 p -106.21 163.89 12.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.205 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.57 -175.08 39.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.228 -0.749 . . . . 50.509999999999998 111.228 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.2 mt -118.06 131.94 69.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.793 0.33 . . . . 50.509999999999998 111.19 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.8 t -59.81 118.42 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.208 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -87.78 -47.32 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.168 -175.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -164.84 134.49 3.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.2 176.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.2 t80 -139.02 113.71 9.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.188 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -93.0 100.09 12.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 50.549999999999997 111.188 179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.5 -27.18 65.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.26 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.78 -29.92 67.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.177 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -113.09 -17.05 12.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.221 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.33 14.24 82.74 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.204 -0.758 . . . . 50.509999999999998 111.204 -177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.5 m-30 -115.23 142.81 46.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.78 0.324 . . . . 50.509999999999998 111.221 -177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -159.93 179.34 35.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.187 -0.765 . . . . 50.509999999999998 111.187 176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -128.1 145.2 51.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.735 0.302 . . . . 50.509999999999998 111.179 176.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.3 mt -118.62 134.54 61.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.143 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.0 m -94.96 113.31 61.02 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.075 -0.511 . . . . 50.509999999999998 111.206 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 53.2 Cg_exo -60.87 149.65 87.35 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.685 1.59 . . . . 50.509999999999998 111.199 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -66.85 -19.52 65.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.181 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.77 -12.63 60.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 50.619999999999997 111.204 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.7 15.32 70.96 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 50.509999999999998 111.236 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.2 p -74.85 177.79 5.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.718 0.294 . . . . 50.509999999999998 111.249 179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -55.54 152.96 8.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.21 -179.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.26 139.15 58.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 50.619999999999997 111.197 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 87.0 t -103.44 127.4 57.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.21 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -74.51 125.04 27.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.189 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.1 p -125.42 125.76 69.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.139 178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.719 ' H ' ' CD2' ' A' ' 33' ' ' HIS . 0.2 OUTLIER -100.05 161.01 13.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.232 173.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -57.27 -26.52 60.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.084 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.8 m -65.05 -24.68 67.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.274 -0.421 . . . . 50.509999999999998 111.234 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.37 -10.92 58.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.233 -178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.15 111.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.199 -176.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -100.24 6.78 44.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 50.549999999999997 111.242 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -77.06 151.04 35.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 50.549999999999997 111.218 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -67.06 154.45 41.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.175 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.54 -159.16 34.7 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -64.16 131.76 48.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.183 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -69.92 101.87 1.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.253 -177.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.1 p -164.92 170.76 14.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.228 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 98.4 mt -129.4 144.86 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.2 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -104.24 109.09 20.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.25 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 mp0 -42.94 135.28 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 50.619999999999997 111.189 -179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -15.25 63.66 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 111.225 -0.75 . . . . 50.509999999999998 111.225 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -81.73 135.98 35.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 50.549999999999997 111.186 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.25 130.3 35.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.245 175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.0 m -132.31 165.03 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.226 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.2 t -131.6 137.87 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.281 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' HB3' ' HA ' ' A' ' 67' ' ' VAL . 35.0 p90 -164.71 171.15 14.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.196 -172.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.9 p -97.79 149.15 22.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.213 173.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.7 mt -118.33 121.55 67.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 50.509999999999998 111.129 -177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -116.88 116.35 27.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 50.619999999999997 111.196 175.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.6 t -80.69 107.63 13.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.182 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -106.71 -168.7 22.56 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.177 -0.769 . . . . 50.509999999999998 111.177 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.21 -27.41 68.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.774 0.321 . . . . 50.509999999999998 111.17 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -93.41 4.99 53.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.219 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.18 -172.46 18.82 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.183 -0.767 . . . . 50.509999999999998 111.183 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -67.87 128.38 17.74 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.706 1.604 . . . . 50.509999999999998 111.226 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.04 139.03 51.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.245 176.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -85.32 144.67 27.93 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.171 -178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -143.75 153.61 25.04 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.1 t30 54.75 60.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.763 0.316 . . . . 50.549999999999997 111.143 -177.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.408 ' HA ' ' HB3' ' A' ' 53' ' ' PHE . 84.9 t -90.85 124.02 43.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.185 -175.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.4 t -144.09 152.05 40.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 177.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -56.86 140.11 49.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.247 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.0 tp . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.239 179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.796 0.331 . . . . 50.509999999999998 111.186 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -71.52 169.66 14.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.132 178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.48 9.87 71.38 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -90.1 155.69 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.933 0.397 . . . . 50.509999999999998 111.095 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.468 ' SD ' ' HB3' ' A' ' 23' ' ' PRO . 62.3 tpp -155.21 131.31 10.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 50.509999999999998 111.186 -177.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.1 p -116.66 152.22 34.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.254 173.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.63 -170.69 36.68 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.244 -0.743 . . . . 50.509999999999998 111.244 -177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG12 ' HG2' ' A' ' 50' ' ' LYS . 90.1 mt -118.49 130.93 72.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.766 0.317 . . . . 50.509999999999998 111.272 -179.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 21' ' ' ILE . 61.3 t -64.95 121.7 14.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 50.509999999999998 111.099 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -89.85 -39.79 12.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.177 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 34.2 p90 -164.36 157.4 17.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.165 169.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -147.46 111.83 5.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.117 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -86.79 86.4 7.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 50.549999999999997 111.182 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.32 -24.63 65.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.119 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -59.35 -29.46 67.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 50.619999999999997 111.136 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.169 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.48 18.11 60.96 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.186 -0.766 . . . . 50.509999999999998 111.186 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.2 m-30 -106.37 165.74 11.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.192 -174.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 170.7 168.89 33.1 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.147 -0.781 . . . . 50.509999999999998 111.147 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -133.88 140.24 46.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.223 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG12 HG22 ' A' ' 9' ' ' VAL . 71.7 mt -119.84 130.61 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 50.509999999999998 111.245 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.486 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 80.2 m -94.97 117.32 66.86 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 50.509999999999998 111.267 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -60.86 155.44 49.37 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.692 1.595 . . . . 50.509999999999998 111.154 -176.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -62.85 -23.09 67.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.188 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -85.27 -10.74 56.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.122 -179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.89 11.64 76.26 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.2 m -61.7 165.03 5.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.161 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -41.57 135.02 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.237 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -55.09 134.01 49.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.167 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' HA ' ' HG2' ' A' ' 62' ' ' PRO . 60.0 t -100.15 124.05 53.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.285 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -73.66 125.28 27.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.208 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.415 HG23 HG21 ' A' ' 67' ' ' VAL . 7.1 p -114.58 133.5 60.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 50.509999999999998 111.229 -179.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -107.18 148.4 28.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.167 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -60.99 -25.36 66.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.21 -178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.4 p -78.77 -16.47 57.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.211 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.55 -11.83 55.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 50.509999999999998 111.242 178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 93.8 mt -79.98 119.21 28.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.184 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -98.43 -5.99 31.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 50.549999999999997 111.225 -178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -63.87 128.01 33.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.227 178.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -62.44 147.88 47.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.239 -179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 101.87 -152.37 18.61 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -67.28 135.78 53.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.312 . . . . 50.509999999999998 111.175 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -87.77 70.62 9.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.314 -0.403 . . . . 50.509999999999998 111.188 -176.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.5 p -146.08 155.18 42.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.191 178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' HB3' HG21 ' A' ' 9' ' ' VAL . 86.8 mt -116.7 145.87 43.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.115 -178.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -98.72 145.99 26.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 50.619999999999997 111.246 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -65.63 125.17 24.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 50.619999999999997 111.235 177.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.93 -4.76 68.42 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.224 -0.751 . . . . 50.509999999999998 111.224 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -73.85 124.57 26.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.159 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HG2' HG12 ' A' ' 8' ' ' ILE . 98.9 mttt -79.44 127.56 32.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.191 173.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -132.68 154.05 39.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.138 -174.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.7 t -118.93 135.25 54.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.443 . . . . 50.509999999999998 111.28 174.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -155.36 178.12 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.192 -174.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.7 p -106.76 151.28 25.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 169.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 19.0 tt -116.89 135.48 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.193 -171.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -133.28 110.13 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.22 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 87.3 p -75.44 169.32 18.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.274 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 167.46 179.74 40.47 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.199 -0.76 . . . . 50.509999999999998 111.199 179.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.54 -35.59 72.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 50.509999999999998 111.121 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.89 16.95 22.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.266 -0.425 . . . . 50.509999999999998 111.149 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -99.04 -163.93 29.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.135 -0.786 . . . . 50.509999999999998 111.135 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HG2' ' HA ' ' A' ' 30' ' ' VAL . 67.1 Cg_endo -74.32 150.4 95.48 Favored 'Cis proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.703 -2.207 . . . . 50.509999999999998 111.223 -1.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -116.58 144.95 43.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.214 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.7 149.44 21.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.262 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -145.27 166.08 27.69 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.217 -0.753 . . . . 50.509999999999998 111.217 172.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 53.07 44.81 29.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 50.549999999999997 111.163 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.415 HG21 HG23 ' A' ' 32' ' ' VAL . 86.0 t -81.71 125.36 39.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.245 -171.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -145.51 154.99 42.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.167 176.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 42.3 t -60.04 140.15 57.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.186 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 51.9 tp . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.204 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.1 mmm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.174 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.8 p -82.03 171.48 14.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 111.188 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.99 -154.89 31.2 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 175.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -93.63 145.22 24.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.753 0.311 . . . . 50.509999999999998 111.244 179.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 28.5 ptm -147.73 165.83 29.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.268 -0.423 . . . . 50.509999999999998 111.283 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.3 p -121.95 165.03 16.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.224 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.83 -178.27 43.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.176 -0.77 . . . . 50.509999999999998 111.176 176.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 92.7 mt -116.53 126.25 73.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.509999999999998 111.233 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.17 125.3 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.138 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -88.64 -49.91 6.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.229 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -161.92 150.82 15.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.256 174.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -144.92 112.55 6.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.299 175.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -89.18 94.62 9.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 50.549999999999997 111.136 177.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.29 -22.47 64.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.267 -178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -62.02 -28.58 69.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 50.619999999999997 111.15 177.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -107.73 -27.96 9.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.205 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.4 26.91 21.96 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -136.06 154.78 50.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.174 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.99 166.8 39.69 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-30 -117.28 142.94 46.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 50.509999999999998 111.096 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 85.8 mt -117.46 135.76 56.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.199 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 96.7 m -91.26 112.4 53.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.213 176.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 29' ' ' ASP . 51.4 Cg_exo -55.15 149.19 45.54 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.771 1.648 . . . . 50.509999999999998 111.197 -176.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -60.01 -27.31 66.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.193 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -74.79 -15.5 60.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 50.619999999999997 111.242 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.63 15.02 66.71 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.101 -0.8 . . . . 50.509999999999998 111.101 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.8 p -77.26 179.74 6.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.788 0.328 . . . . 50.509999999999998 111.191 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -49.95 132.54 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.253 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 92.8 m-20 -53.57 151.89 5.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.237 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.45 143.52 19.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.228 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.5 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 2.2 m-30 -80.07 133.25 36.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.165 -177.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -123.9 130.0 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.203 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -100.03 158.98 15.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.176 175.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 40.9 p90 -60.22 -24.17 64.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.236 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.7 p -78.93 -13.66 59.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.132 -0.485 . . . . 50.509999999999998 111.171 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.66 -5.46 58.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.114 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 38.1 mm -82.08 110.14 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 -176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -96.19 -0.38 50.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.26 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -77.79 159.99 28.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.549999999999997 111.245 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.9 p30 -83.15 -175.12 5.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 50.619999999999997 111.201 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.19 -111.77 3.53 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.19 -0.764 . . . . 50.509999999999998 111.19 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -108.98 154.59 21.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.823 0.344 . . . . 50.509999999999998 111.2 178.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -79.79 67.47 5.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.218 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.6 p -150.13 164.11 36.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.166 -178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.1 mt -119.33 150.47 40.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.208 -179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -96.37 142.09 28.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.184 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.5 125.77 25.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.234 178.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.75 1.03 74.34 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.185 -0.766 . . . . 50.509999999999998 111.185 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -74.98 125.0 27.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.759 0.314 . . . . 50.549999999999997 111.152 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.41 120.67 25.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.143 175.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.409 HG12 ' HA ' ' A' ' 69' ' ' SER . 27.0 m -133.5 160.73 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.2 p -112.64 153.69 27.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.299 171.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.9 p90 -167.27 168.91 12.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.212 -174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 63.4 p -119.78 164.3 16.17 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.178 174.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm -109.97 119.49 59.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 50.509999999999998 111.186 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -129.5 147.42 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.19 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.0 t -88.6 106.36 18.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.23 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.41 -165.23 29.64 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.28 -26.92 69.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 50.509999999999998 111.215 179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -96.22 4.87 52.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 50.509999999999998 111.216 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.37 -173.87 25.51 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.194 -0.763 . . . . 50.509999999999998 111.194 -178.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -55.26 130.27 39.76 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.714 1.609 . . . . 50.509999999999998 111.252 179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -154.58 165.01 37.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.164 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.05 132.24 34.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 50.509999999999998 111.193 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -135.13 177.23 19.51 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.138 -0.785 . . . . 50.509999999999998 111.138 176.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 54.53 44.92 28.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.27 -177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 64.7 t -84.97 117.16 29.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.25 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.2 t -145.09 153.51 41.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.192 -179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.409 ' HA ' HG12 ' A' ' 51' ' ' VAL . 26.1 m -52.0 139.44 22.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.231 -178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 55.4 tp . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.181 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.915 0.388 . . . . 50.509999999999998 111.178 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 t -63.72 140.48 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.207 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 148.5 -169.52 29.08 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 -179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -76.08 135.72 39.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.74 0.305 . . . . 50.509999999999998 111.183 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 62.8 tpp -155.17 132.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.218 -176.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.6 p -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.212 171.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.21 -176.24 38.49 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.159 -0.776 . . . . 50.509999999999998 111.159 -178.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.8 mt -120.45 132.26 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.264 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.419 HG21 ' HB3' ' A' ' 45' ' ' LEU . 72.7 t -70.51 118.88 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.226 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -84.54 -41.45 16.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 50.509999999999998 111.158 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -164.97 140.96 5.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.195 177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -138.91 111.98 7.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.201 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -82.93 100.0 10.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.211 -0.45 . . . . 50.549999999999997 111.252 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.0 -23.78 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.17 -173.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.39 -30.1 70.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 50.619999999999997 111.189 -178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -110.67 -25.33 10.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.226 178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 91.79 47.3 3.46 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.241 -0.743 . . . . 50.509999999999998 111.241 174.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 p90 -147.96 161.49 41.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 50.509999999999998 111.181 174.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -167.78 -169.5 31.38 Favored Glycine 0 CA--C 1.522 0.469 0 N-CA-C 111.269 -0.732 . . . . 50.509999999999998 111.269 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.4 t80 -141.68 130.19 22.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 50.509999999999998 111.235 -172.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 89.3 mt -122.56 135.04 63.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.186 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.5 m -106.63 120.56 47.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.185 176.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -60.26 146.36 96.62 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.163 -177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.0 -33.59 76.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.281 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -77.8 -9.88 59.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 50.619999999999997 111.147 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.42 16.14 72.07 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -178.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 81.9 p -70.27 -178.87 1.8 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.739 0.304 . . . . 50.509999999999998 111.257 178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.463 ' CG ' ' HG2' ' A' ' 62' ' ' PRO . 59.3 tptt -47.97 121.49 4.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.215 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -65.01 150.62 47.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 50.619999999999997 111.122 -176.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.42 151.27 34.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.282 -172.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -104.83 152.6 22.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.25 171.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.2 p -133.95 139.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.251 -173.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -115.31 161.63 18.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.19 174.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -59.97 -26.87 66.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.199 -177.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 94.8 p -73.87 -16.99 61.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.173 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.7 -9.1 56.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.23 179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.2 mt -83.89 121.54 36.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.163 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -94.7 -5.98 44.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 50.549999999999997 111.117 -175.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -69.39 149.04 48.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 50.549999999999997 111.242 177.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 46.2 p30 -81.23 179.04 8.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 50.619999999999997 111.123 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.84 -160.17 53.18 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -61.59 106.17 0.63 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.809 0.337 . . . . 50.509999999999998 111.188 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -64.97 108.65 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.254 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 91.1 p -163.49 156.75 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.197 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HB3' HG21 ' A' ' 9' ' ' VAL . 88.5 mt -114.08 144.17 43.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.151 179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -96.13 149.65 21.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.162 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -67.01 124.62 23.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 50.619999999999997 111.115 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.9 -0.54 79.5 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.148 -0.781 . . . . 50.509999999999998 111.148 179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -73.23 126.97 31.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.798 0.332 . . . . 50.549999999999997 111.111 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.33 126.04 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.237 174.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.6 161.67 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.119 -174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.9 t -121.26 132.81 55.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 50.509999999999998 111.189 173.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.0 p90 -145.83 175.93 10.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.142 -172.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 57.3 p -117.81 146.83 43.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.236 170.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 87.3 mt -93.21 120.62 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.231 -174.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -134.22 111.49 10.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 50.619999999999997 111.191 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.9 t -76.6 112.8 13.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.182 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -111.25 -161.63 17.19 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.249 -0.74 . . . . 50.509999999999998 111.249 179.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.68 -26.11 68.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.759 0.314 . . . . 50.509999999999998 111.178 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.13 5.11 52.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.147 -179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.65 -170.32 24.1 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.165 -0.774 . . . . 50.509999999999998 111.165 -178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.463 ' HG2' ' CG ' ' A' ' 28' ' ' LYS . 78.0 Cg_exo -54.66 119.62 6.74 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.793 1.662 . . . . 50.509999999999998 111.122 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -115.59 146.02 42.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.249 178.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 109.94 21.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.201 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -106.21 167.74 14.49 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.163 -0.775 . . . . 50.509999999999998 111.163 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.7 m-80 54.11 44.81 28.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.549999999999997 111.248 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.3 t -79.3 118.01 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.211 -173.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.6 p -128.26 167.77 16.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.253 174.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.8 m -73.82 140.58 45.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.208 178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.3 tp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.221 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.3 mmm . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.871 0.367 . . . . 50.509999999999998 111.171 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 t -61.94 135.49 57.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.16 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.54 -178.11 27.27 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.219 -0.752 . . . . 50.509999999999998 111.219 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -84.61 122.33 28.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.825 0.345 . . . . 50.509999999999998 111.212 179.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 95.8 mtp -133.77 153.75 51.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.122 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 98.8 m -115.47 136.14 53.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.203 175.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.11 -171.64 23.39 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.174 -0.771 . . . . 50.509999999999998 111.174 -177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 91.2 mt -120.52 132.71 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.744 0.307 . . . . 50.509999999999998 111.18 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.3 t -59.55 119.77 4.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.183 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -84.61 -46.72 11.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.197 -177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -164.33 147.4 9.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 50.509999999999998 111.221 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -146.05 119.66 9.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.266 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.1 t-20 -95.23 102.77 14.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 50.549999999999997 111.134 177.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.47 -28.2 69.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.509999999999998 111.278 -175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.03 -21.48 65.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 50.619999999999997 111.15 -179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -112.69 -17.48 12.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.233 178.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 69.56 40.51 78.03 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.173 -0.771 . . . . 50.509999999999998 111.173 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 89.2 t80 -155.31 147.25 23.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.154 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -166.45 -162.39 17.84 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -133.62 142.03 47.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.279 -177.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 90.2 mt -117.43 129.13 74.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.178 175.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 98.2 m -94.82 113.29 60.87 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.145 -178.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.8 Cg_exo -62.74 147.47 94.66 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 121.673 1.582 . . . . 50.509999999999998 111.258 -178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -74.83 -14.15 60.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.262 -0.426 . . . . 50.619999999999997 111.212 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -71.54 -14.83 62.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 50.619999999999997 111.182 177.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.87 8.52 69.39 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.17 -0.772 . . . . 50.509999999999998 111.17 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.5 p -75.02 174.78 8.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.211 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -58.4 150.44 22.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.218 -178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -57.79 140.89 50.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.446 . . . . 50.619999999999997 111.141 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.4 t -105.23 127.07 60.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.217 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.64 ' HD1' ' N ' ' A' ' 31' ' ' PHE . 0.9 OUTLIER -70.17 138.4 51.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.225 179.778 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -135.82 126.04 42.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.214 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.1 t-80 -109.63 146.83 34.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.247 175.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -63.04 -26.19 68.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.341 -0.391 . . . . 50.509999999999998 111.178 -174.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 93.3 p -71.25 -18.1 62.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.266 179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 -11.2 43.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.215 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.5 mt -79.92 112.15 17.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.211 -177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -88.97 -6.38 57.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 50.549999999999997 111.154 -177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -58.38 121.3 10.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.147 178.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -61.27 142.48 56.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 50.619999999999997 111.19 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 103.61 -164.56 15.44 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.134 -0.787 . . . . 50.509999999999998 111.134 -177.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -64.22 123.18 18.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 50.509999999999998 111.176 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -89.1 78.91 7.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.42 . . . . 50.509999999999998 111.123 -171.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 92.7 p -138.97 157.93 45.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.241 175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.1 mt -117.79 140.57 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 50.509999999999998 111.199 -178.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.9 t0 -103.19 112.23 25.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 50.619999999999997 111.223 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.9 pm0 -52.51 131.87 34.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.199 179.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.16 -16.28 46.06 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.167 -0.773 . . . . 50.509999999999998 111.167 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -88.74 134.62 33.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.85 0.357 . . . . 50.549999999999997 111.119 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -82.51 123.36 29.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.222 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.3 m -130.33 159.87 41.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.253 -173.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.6 m -111.95 143.89 42.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 50.509999999999998 111.231 169.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 53.4 p90 -149.72 164.28 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 50.509999999999998 111.174 -172.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 93.3 m -124.35 126.09 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.252 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 92.2 mt -81.78 112.02 19.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.128 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -124.99 146.26 49.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 50.619999999999997 111.206 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 31.2 t -76.36 120.18 21.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 50.509999999999998 111.22 -179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.95 -164.0 13.83 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.205 -0.758 . . . . 50.509999999999998 111.205 177.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.37 -26.26 68.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.165 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -105.04 15.23 28.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.163 -178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.4 -176.79 32.99 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.271 -0.731 . . . . 50.509999999999998 111.271 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 65.7 Cg_exo -58.34 131.33 42.29 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.785 1.657 . . . . 50.509999999999998 111.15 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -152.28 153.17 33.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.173 177.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.56 127.79 34.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 50.509999999999998 111.199 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -132.76 178.76 17.87 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 174.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.4 t30 50.96 45.39 27.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.836 0.35 . . . . 50.549999999999997 111.217 -177.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.4 t -82.15 114.43 23.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.211 -173.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -126.89 152.63 46.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 50.509999999999998 111.194 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 39.9 t -68.98 140.02 55.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.253 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.518 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.138 179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.816 0.341 . . . . 50.509999999999998 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -80.02 171.8 14.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.156 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 110.75 179.04 20.53 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.231 -0.747 . . . . 50.509999999999998 111.231 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.2 137.38 32.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.199 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 19.6 ptp -160.91 164.98 30.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 50.509999999999998 111.239 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.6 p -102.75 162.87 12.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 50.509999999999998 111.221 177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.81 -158.21 18.96 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.57 158.49 42.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.24 177.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.4 t -75.84 121.1 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.19 173.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -89.87 -43.61 10.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.194 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -159.64 149.54 18.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.158 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -149.9 129.82 13.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.098 -0.501 . . . . 50.509999999999998 111.186 173.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -125.74 100.07 6.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 50.549999999999997 111.209 177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -25.69 67.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.234 -175.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -59.63 -30.06 68.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 50.619999999999997 111.239 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -104.92 -28.37 11.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.237 178.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.23 22.57 40.72 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.137 -0.785 . . . . 50.509999999999998 111.137 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -128.72 152.73 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -178.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -152.64 -177.5 26.33 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.184 -0.766 . . . . 50.509999999999998 111.184 173.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -130.4 133.57 46.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.8 0.333 . . . . 50.509999999999998 111.197 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.8 mm -111.92 128.26 68.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.243 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 99.6 m -102.72 118.65 57.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.296 -0.411 . . . . 50.509999999999998 111.196 -179.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 50.6 Cg_exo -57.69 149.19 69.67 Favored 'Trans proline' 0 C--N 1.327 -0.563 0 C-N-CA 121.711 1.607 . . . . 50.509999999999998 111.135 -179.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -62.33 -23.71 66.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.119 -0.491 . . . . 50.619999999999997 111.231 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.95 -20.75 66.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.214 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 89.17 12.96 62.66 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.212 -0.755 . . . . 50.509999999999998 111.212 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.5 p -74.91 175.0 8.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.76 0.314 . . . . 50.509999999999998 111.257 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -52.48 128.26 25.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.264 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -59.9 157.21 12.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.21 -0.45 . . . . 50.619999999999997 111.177 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -125.6 133.5 68.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.197 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -67.98 153.02 44.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.238 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -144.4 137.15 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.234 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 63.2 t-80 -82.58 141.74 32.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 50.509999999999998 111.274 174.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -61.78 -22.64 65.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.118 -172.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.4 p -67.0 -19.39 65.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.289 -0.414 . . . . 50.509999999999998 111.212 179.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.46 5.91 36.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.105 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.0 mt -80.4 118.09 27.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.239 177.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -96.55 1.78 51.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 50.549999999999997 111.152 -175.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -64.37 139.56 58.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 50.549999999999997 111.139 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.66 148.31 51.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 50.619999999999997 111.208 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.91 -157.61 41.63 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.222 -0.751 . . . . 50.509999999999998 111.222 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -55.0 119.7 5.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.221 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -60.36 109.97 1.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.213 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 94.5 p -157.38 156.73 32.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.233 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.1 mt -116.6 142.73 46.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.189 -178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -105.26 108.83 20.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.619999999999997 111.286 178.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -53.21 127.63 25.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.1 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.73 -21.24 44.7 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -179.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -74.14 132.14 41.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.79 0.328 . . . . 50.549999999999997 111.224 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -72.09 131.69 43.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.228 175.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.0 m -135.05 164.66 33.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 50.509999999999998 111.203 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.7 t -116.81 137.75 51.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.181 170.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.7 p90 -151.2 176.77 10.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.233 -170.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.4 t -135.05 143.36 46.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.196 176.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.6 mt -107.47 124.98 63.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.204 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -130.03 147.56 51.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 50.619999999999997 111.165 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.4 t -86.97 104.01 15.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.168 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -98.95 -164.57 30.08 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.208 -0.757 . . . . 50.509999999999998 111.208 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.39 -27.18 69.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.758 0.313 . . . . 50.509999999999998 111.13 179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -95.06 5.67 51.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.272 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.9 -170.0 25.97 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.166 -0.774 . . . . 50.509999999999998 111.166 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -54.83 128.96 32.63 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.688 1.592 . . . . 50.509999999999998 111.165 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -145.22 146.44 31.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.232 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.38 147.64 25.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.202 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -160.09 -172.95 28.0 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.3 t30 53.14 46.56 26.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.801 0.334 . . . . 50.549999999999997 111.162 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.9 t -87.76 117.68 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.217 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 10.3 t -135.24 145.89 48.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.159 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 61.5 m -52.0 137.21 27.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 50.509999999999998 111.236 179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.7 tp . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.509999999999998 111.204 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.8 mmm . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.829 0.347 . . . . 50.509999999999998 111.208 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.5 p -76.62 167.75 21.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.166 -179.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 115.7 -169.79 13.06 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.161 -0.775 . . . . 50.509999999999998 111.161 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -101.07 131.66 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.811 0.339 . . . . 50.509999999999998 111.202 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 1.7 pmm? -159.26 160.04 34.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 50.509999999999998 111.188 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.5 p -101.23 165.03 11.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.206 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.54 -162.64 28.99 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.204 -0.759 . . . . 50.509999999999998 111.204 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.9 pt -125.04 150.85 30.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.781 0.324 . . . . 50.509999999999998 111.162 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG21 ' HB3' ' A' ' 45' ' ' LEU . 75.0 t -73.62 114.78 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.175 175.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -80.11 -35.38 36.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.168 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.7 t-105 -157.83 149.9 22.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.212 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -153.33 119.22 5.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.183 173.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -102.92 103.38 13.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 50.549999999999997 111.207 175.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.87 -23.55 65.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 50.509999999999998 111.18 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.38 -28.62 68.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.194 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.72 -19.05 9.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.247 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.12 8.35 87.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.241 -0.744 . . . . 50.509999999999998 111.241 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -107.17 148.93 28.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.214 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -163.91 -164.65 19.57 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.231 -0.748 . . . . 50.509999999999998 111.231 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -132.61 137.47 47.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.789 0.328 . . . . 50.509999999999998 111.205 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -125.22 135.57 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.229 177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 8.9 t -150.09 144.37 17.52 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.172 -179.236 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.655 ' HD2' ' O ' ' A' ' 27' ' ' SER . 31.5 Cg_exo -65.01 162.43 32.6 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.233 172.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.43 -24.26 67.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.434 . . . . 50.619999999999997 111.223 -177.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -28.97 68.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 50.619999999999997 111.171 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 104.13 -31.09 9.04 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.164 -0.774 . . . . 50.509999999999998 111.164 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.655 ' O ' ' HD2' ' A' ' 23' ' ' PRO . 85.9 p -74.98 179.53 4.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.897 0.38 . . . . 50.509999999999998 111.199 176.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 92.9 mttt 54.95 35.05 23.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.121 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -84.32 107.01 16.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 50.619999999999997 111.265 178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.8 m -129.59 153.59 39.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.173 -176.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -76.44 156.55 33.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 50.509999999999998 111.149 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.7 p -137.32 137.48 46.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.202 -176.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -99.91 160.07 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.255 176.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -64.02 -20.22 65.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 50.509999999999998 111.211 179.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 95.5 p -76.12 -15.28 60.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 50.509999999999998 111.193 177.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HB1' ' HA2' ' A' ' 65' ' ' GLY . . . -85.72 -12.34 51.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.171 178.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -80.68 114.46 21.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.129 -178.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 93.1 mm-40 -103.68 14.96 29.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.549999999999997 111.122 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -76.98 144.58 38.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 50.549999999999997 111.204 179.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -65.24 149.71 49.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.186 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.65 -159.09 34.42 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.211 -0.756 . . . . 50.509999999999998 111.211 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -64.76 125.07 23.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 50.509999999999998 111.277 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -65.1 109.99 2.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.19 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.3 p -158.96 157.43 31.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.187 179.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB3' HG21 ' A' ' 9' ' ' VAL . 81.4 mt -129.16 143.23 50.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.228 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -101.34 142.3 32.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 50.619999999999997 111.14 175.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -67.15 123.4 20.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 50.619999999999997 111.203 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.9 -5.73 69.21 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.171 -0.772 . . . . 50.509999999999998 111.171 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -69.16 125.58 27.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 50.549999999999997 111.227 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.09 126.64 30.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.144 176.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.59 157.88 39.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.14 -178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -112.63 129.2 56.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.176 171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 37.2 p90 -149.96 165.83 31.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.194 -168.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.5 p -115.99 159.63 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.219 171.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 81.1 mt -121.08 125.17 73.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 50.509999999999998 111.162 177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -130.06 147.48 51.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 50.619999999999997 111.188 177.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 40.1 t -83.94 105.43 14.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.268 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.6 -164.95 29.39 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.242 -0.743 . . . . 50.509999999999998 111.242 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.88 -25.65 68.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.75 0.31 . . . . 50.509999999999998 111.136 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -101.62 14.11 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.453 . . . . 50.509999999999998 111.213 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.33 -170.42 31.36 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.191 -0.764 . . . . 50.509999999999998 111.191 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -55.22 129.02 32.97 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.756 1.637 . . . . 50.509999999999998 111.228 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -142.39 151.52 41.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 50.509999999999998 111.167 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -74.93 145.45 42.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 50.509999999999998 111.235 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' HA2' ' HB1' ' A' ' 36' ' ' ALA . . . -151.54 170.61 31.08 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.168 -0.773 . . . . 50.509999999999998 111.168 176.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 51.33 43.99 29.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.827 0.346 . . . . 50.549999999999997 111.164 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 87.5 t -82.7 114.56 23.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.205 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 81.9 p -126.32 154.37 43.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.143 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 48.1 t -64.81 137.42 57.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.242 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 57.6 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.235 -178.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 98.6 mtp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.808 0.337 . . . . 50.509999999999998 111.198 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.4 p -75.12 168.02 20.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 50.509999999999998 111.187 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 114.07 173.16 18.17 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.192 -0.763 . . . . 50.509999999999998 111.192 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -74.99 112.4 11.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 50.509999999999998 111.164 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 67.8 mtt -138.11 157.16 46.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.194 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.9 p -97.56 160.79 14.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 50.509999999999998 111.104 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.4 -171.38 32.47 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.215 -0.754 . . . . 50.509999999999998 111.215 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.5 tt -133.21 135.49 56.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.692 0.282 . . . . 50.509999999999998 111.215 -178.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.7 t -71.87 120.38 20.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.202 -177.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -89.87 -41.15 11.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.207 179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 75.5 t-105 -156.77 154.69 30.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.203 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -145.3 113.74 6.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.14 174.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -90.27 93.91 9.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.28 -0.418 . . . . 50.549999999999997 111.252 177.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.69 -24.41 67.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.228 -174.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -54.87 -37.25 66.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.156 -0.475 . . . . 50.619999999999997 111.193 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -112.63 -12.26 13.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.181 178.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 77.84 28.6 56.52 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.244 -0.742 . . . . 50.509999999999998 111.244 -177.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 m-30 -106.02 114.85 29.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 50.509999999999998 111.165 -175.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.73 154.98 16.63 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.184 -0.767 . . . . 50.509999999999998 111.184 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -129.21 115.15 17.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.156 178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 81.9 mt -115.03 126.75 72.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.08 -0.509 . . . . 50.509999999999998 111.223 -174.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 81.0 m -95.63 118.46 66.07 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.202 177.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 52.5 Cg_exo -59.16 148.79 84.13 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.672 1.581 . . . . 50.509999999999998 111.216 -177.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -70.36 -15.14 62.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.172 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.8 -12.03 59.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.43 . . . . 50.619999999999997 111.213 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.9 15.17 75.84 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.172 -0.771 . . . . 50.509999999999998 111.172 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.0 p -75.7 178.0 6.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.347 . . . . 50.509999999999998 111.181 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.34 133.1 20.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.224 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -52.33 138.64 26.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 50.619999999999997 111.185 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 60.5 t -104.23 130.68 54.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.169 -177.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -87.2 134.76 33.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 -178.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.8 p -131.86 139.56 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.181 -177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -100.18 152.06 20.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 50.509999999999998 111.177 174.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -54.52 -25.41 25.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.168 176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 97.5 p -75.61 -19.48 59.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.409 . . . . 50.509999999999998 111.234 -178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.94 -11.98 58.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.12 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.0 mt -75.02 120.54 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.23 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -93.56 -4.94 50.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.279 -176.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -71.4 148.34 47.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.234 177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -75.96 -176.36 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 50.619999999999997 111.22 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.74 -153.87 52.96 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.224 -0.75 . . . . 50.509999999999998 111.224 -178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.34 135.58 50.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.898 0.38 . . . . 50.509999999999998 111.129 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -80.05 96.39 6.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.218 -176.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 96.5 p -156.05 159.09 38.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.169 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.5 mt -115.12 143.94 44.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.208 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -94.11 140.61 29.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 50.619999999999997 111.114 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -64.65 123.6 19.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.156 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.34 -4.22 66.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.198 -0.761 . . . . 50.509999999999998 111.198 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -73.32 122.29 21.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 50.549999999999997 111.201 179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -84.47 130.94 34.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.171 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.94 162.32 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.251 -172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -123.12 132.4 54.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.23 173.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -154.41 164.99 37.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.153 -168.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 95.6 m -98.11 124.16 42.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.226 177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.9 mt -90.98 125.46 43.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.21 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -133.07 108.71 9.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 50.619999999999997 111.221 175.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.448 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 42.1 t -65.66 125.2 24.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.218 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -122.57 -167.47 12.98 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.263 -0.735 . . . . 50.509999999999998 111.263 177.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.94 -25.21 67.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 50.509999999999998 111.194 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.01 5.05 49.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.129 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.55 -174.93 21.43 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.448 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 76.2 Cg_exo -54.75 124.13 15.45 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.681 1.588 . . . . 50.509999999999998 111.227 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -113.14 139.42 48.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.208 175.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.27 137.71 33.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.237 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -134.4 170.96 22.44 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.239 -0.744 . . . . 50.509999999999998 111.239 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 43.84 55.8 4.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 50.549999999999997 111.2 -177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -87.57 115.15 27.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 50.509999999999998 111.193 -174.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.3 p -124.79 164.35 20.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.259 176.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 75.0 m -71.71 144.87 49.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.179 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 56.6 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 50.509999999999998 111.242 -179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.207 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -75.0 171.61 13.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.254 -179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 106.89 -173.0 18.82 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.18 -0.768 . . . . 50.509999999999998 111.18 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.08 141.61 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.745 0.307 . . . . 50.509999999999998 111.191 -178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 63.3 tpp -155.02 130.77 9.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.262 -177.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 60.2 p -110.87 158.49 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.151 172.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.62 -165.05 35.05 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.7 mt -125.0 128.57 73.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.743 0.306 . . . . 50.509999999999998 111.277 -178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 9' ' ' VAL . 7.7 p -64.98 125.69 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.16 179.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -104.38 -43.66 5.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.116 -175.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -123.23 140.1 53.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 50.509999999999998 111.184 177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -165.28 124.96 1.8 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 50.509999999999998 111.266 173.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-80 -105.13 104.47 14.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 50.549999999999997 111.187 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.87 -27.11 66.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.188 -176.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -64.9 -26.27 68.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 50.619999999999997 111.149 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 76.1 mmtt -109.99 -30.37 7.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.149 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.54 23.49 46.84 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.21 -0.756 . . . . 50.509999999999998 111.21 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -130.8 149.92 52.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 50.509999999999998 111.123 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.79 -168.09 31.21 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.23 -0.748 . . . . 50.509999999999998 111.23 176.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -132.82 139.65 47.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.84 0.353 . . . . 50.509999999999998 111.182 -179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 9' ' ' VAL . 75.5 mt -112.61 131.79 63.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.218 179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 23' ' ' PRO . 96.1 m -92.05 115.18 64.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.235 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 22' ' ' THR . 38.4 Cg_exo -64.42 154.89 69.12 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.656 1.571 . . . . 50.509999999999998 111.285 -176.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 85.9 m-20 -63.48 -24.0 67.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 50.619999999999997 111.133 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -75.16 -14.96 60.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.194 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.07 15.09 78.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.124 -0.79 . . . . 50.509999999999998 111.124 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.0 p -74.92 177.19 6.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 50.509999999999998 111.228 -178.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -49.45 133.31 20.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.198 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -53.84 135.64 41.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.289 -0.414 . . . . 50.619999999999997 111.183 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.8 t -95.44 123.16 47.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.164 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -65.73 128.01 34.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 50.509999999999998 111.173 178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.98 126.64 71.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 50.509999999999998 111.14 179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -100.4 160.27 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.248 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -62.32 -25.24 67.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.208 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 75.4 m -73.66 -15.21 61.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.152 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -80.07 -18.27 50.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.163 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.419 ' HA ' ' HB ' ' A' ' 67' ' ' VAL . 87.2 mt -82.63 124.87 39.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.269 -175.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -94.1 -4.63 48.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 50.549999999999997 111.237 -172.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -58.57 123.96 18.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 50.549999999999997 111.217 178.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -64.7 151.1 45.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.089 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.96 -110.56 3.1 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.196 -0.762 . . . . 50.509999999999998 111.196 -179.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.07 135.51 37.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 50.509999999999998 111.227 178.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -118.73 89.28 3.09 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.199 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 97.6 p -152.72 155.48 37.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.183 177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.2 mt -109.01 137.4 46.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.152 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -89.84 130.84 36.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 50.619999999999997 111.247 177.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -54.63 124.14 15.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.313 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.19 -1.39 64.74 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -78.39 123.51 27.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 50.549999999999997 111.218 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -76.08 126.83 31.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.24 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.38 158.59 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.27 -174.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.0 t -118.06 135.6 54.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 50.509999999999998 111.202 173.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -152.88 178.4 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.238 -174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.7 p -122.11 152.18 40.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 50.509999999999998 111.176 172.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 85.5 mt -107.0 121.18 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.152 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -118.94 121.67 40.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 50.619999999999997 111.182 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 62' ' ' PRO . 86.1 p -72.34 169.39 16.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.248 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.86 -175.25 46.99 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.162 -0.775 . . . . 50.509999999999998 111.162 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.22 -26.62 68.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.178 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.13 4.24 53.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.31 -0.405 . . . . 50.509999999999998 111.175 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.69 163.16 36.34 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.263 -0.735 . . . . 50.509999999999998 111.263 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 57' ' ' SER . 73.5 Cg_exo -55.37 122.65 12.1 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 121.671 1.581 . . . . 50.509999999999998 111.175 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -122.46 155.02 36.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.164 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -75.08 145.14 42.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.178 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -148.44 170.02 28.99 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.188 -0.765 . . . . 50.509999999999998 111.188 173.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 52.79 41.87 31.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 50.549999999999997 111.164 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 37' ' ' ILE . 94.6 t -78.87 123.4 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.27 -174.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.0 t -142.94 154.94 44.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.441 . . . . 50.509999999999998 111.149 177.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 35.7 t -62.54 140.07 58.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.192 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 70' ' ' LEU . 58.8 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.101 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 99.7 mmm . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.775 0.322 . . . . 50.509999999999998 111.183 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . 86.2 p -69.16 164.77 21.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.22 -178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 103.36 -170.89 19.9 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.143 -0.783 . . . . 50.509999999999998 111.143 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -64.63 135.32 55.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.797 0.332 . . . . 50.509999999999998 111.272 -178.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 60.6 ttm -147.61 139.4 24.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 50.509999999999998 111.29 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.9 p -123.68 154.17 39.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 111.214 176.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.61 -160.75 26.83 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.1 pt -122.78 143.98 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 50.509999999999998 111.217 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 HG21 ' HB3' ' A' ' 45' ' ' LEU . 57.7 t -68.63 102.62 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.212 -177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -51.15 -52.83 40.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.198 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -164.5 154.37 14.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.221 171.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -151.53 118.5 5.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.17 178.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.467 ' HB3' ' HB3' ' A' ' 16' ' ' LYS . 55.9 t-20 -86.14 115.01 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 50.549999999999997 111.225 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.99 77.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 50.509999999999998 111.109 -175.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -78.43 -35.11 47.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 50.619999999999997 111.147 -176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HB3' ' A' ' 13' ' ' ASN . 81.9 tttt -79.99 -35.18 37.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.265 -179.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 86.01 4.08 84.75 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.182 -0.767 . . . . 50.509999999999998 111.182 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -123.15 154.32 38.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.15 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.03 -168.67 33.06 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.176 -0.769 . . . . 50.509999999999998 111.176 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -135.68 148.63 48.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 50.509999999999998 111.278 179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 84.2 mt -121.74 131.71 72.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.24 179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 99.9 m -98.28 120.84 58.68 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.174 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.5 159.48 47.62 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.179 -176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -59.92 -26.51 65.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 50.619999999999997 111.205 178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -64.88 -24.29 67.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.203 -0.453 . . . . 50.619999999999997 111.195 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.51 4.24 89.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 -178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.4 p -74.31 -178.7 3.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.785 0.326 . . . . 50.509999999999998 111.218 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -45.98 134.33 8.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.281 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 43.7 p30 -74.35 174.9 8.21 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 50.619999999999997 111.244 -175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.3 m -125.71 156.37 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.282 -0.417 . . . . 50.509999999999998 111.251 -178.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -83.5 135.93 34.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.422 . . . . 50.509999999999998 111.213 -177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.2 p -133.19 140.45 47.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.166 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -124.99 165.57 17.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.215 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -61.63 -30.85 70.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.197 -170.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 87.3 p -81.16 -7.53 59.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.125 -177.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.02 -13.35 53.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.345 -0.389 . . . . 50.509999999999998 111.232 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -81.62 130.4 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.148 -176.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.743 ' O ' ' HB2' ' A' ' 39' ' ' ASN . 96.8 mm-40 -98.02 165.24 12.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 50.549999999999997 111.236 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' A' ' 38' ' ' GLN . 93.3 m-20 91.07 164.91 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 50.549999999999997 111.179 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 48.1 p30 -80.57 -176.41 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.152 -177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.53 175.6 50.87 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.221 -0.752 . . . . 50.509999999999998 111.221 -177.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -64.93 128.44 35.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.784 0.326 . . . . 50.509999999999998 111.167 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.17 108.49 1.89 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.2 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 89.8 p -164.41 158.11 18.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.123 -0.49 . . . . 50.509999999999998 111.246 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' HB3' HG21 ' A' ' 9' ' ' VAL . 85.1 mt -129.57 144.36 51.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.232 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.93 146.54 23.55 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.462 . . . . 50.619999999999997 111.21 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -65.69 121.62 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.152 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 4.94 78.15 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.169 -0.772 . . . . 50.509999999999998 111.169 178.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -72.05 125.62 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.833 0.349 . . . . 50.549999999999997 111.171 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.4 124.95 25.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.15 175.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.2 m -134.99 149.65 29.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 50.509999999999998 111.191 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.0 t -113.03 133.86 54.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.224 172.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -153.75 176.91 11.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 50.509999999999998 111.145 -170.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.6 p -125.43 150.02 47.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.222 175.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 2' ' ' SER . 49.6 mm -104.9 120.59 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.172 178.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -129.92 145.84 51.62 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.225 -0.443 . . . . 50.619999999999997 111.167 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 28.8 t -87.19 121.26 29.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.233 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -116.19 -162.62 13.17 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.195 -0.762 . . . . 50.509999999999998 111.195 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.31 -26.94 68.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.7 0.286 . . . . 50.509999999999998 111.136 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -98.2 3.86 48.95 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 50.509999999999998 111.213 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.16 -173.34 25.24 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.154 -0.778 . . . . 50.509999999999998 111.154 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_exo -57.93 132.56 50.4 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.697 1.598 . . . . 50.509999999999998 111.192 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -150.12 157.5 43.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.227 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.05 137.83 37.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 50.509999999999998 111.219 -178.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -141.56 175.18 22.6 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.193 -0.763 . . . . 50.509999999999998 111.193 175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 74.4 m-20 53.47 43.18 31.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 50.549999999999997 111.136 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.4 t -77.23 113.25 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.153 -175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 89.1 m -124.23 129.89 51.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.262 -0.427 . . . . 50.509999999999998 111.23 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 41.3 t -56.34 138.83 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.146 -179.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 31.8 tp . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.165 178.245 . . . . . . . . 0 0 . 1 stop_ save_