data_1x0h_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 1x0h _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 ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.402 HG22 ' CZ ' ' A' ' 103' ' ' PHE . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.402 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 34' ' ' PHE . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.413 ' CE2' HD13 ' A' ' 72' ' ' LEU . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 68' ' ' TYR . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.419 ' CD1' HD23 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 34' ' ' PHE . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 103' ' ' PHE . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD23 ' A' ' 99' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 34' ' ' PHE . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.844 0.354 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' A' ' 34' ' ' PHE . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 103' ' ' PHE . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 99' ' ' LEU . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' ALA . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.41 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 34' ' ' PHE . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 103' ' ' PHE . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' A' ' 14' ' ' ALA . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 68' ' ' TYR . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 50' ' ' PHE . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CD2' HD12 ' A' ' 72' ' ' LEU . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.404 HD12 ' CD2' ' A' ' 68' ' ' TYR . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 34' ' ' PHE . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 34' ' ' PHE . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 26' ' ' ILE . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 39' ' ' PHE . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' HG11 ' A' ' 37' ' ' VAL . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' CG1' ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 34' ' ' PHE . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 ' CE2' ' A' ' 39' ' ' PHE . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE2' HG13 ' A' ' 37' ' ' VAL . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.404 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 34' ' ' PHE . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 34' ' ' PHE . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CD2' ' HB1' ' A' ' 14' ' ' ALA . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.838 0.351 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -106.57 -62.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.9 84.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 122.83 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -67.97 103.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 157.29 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 -131.35 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 mt 63.69 143.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -91.24 132.67 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.414 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.402 HG22 ' CZ ' ' A' ' 103' ' ' PHE . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.69 107.18 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -59.95 119.58 8.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -56.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 mtt -114.88 -37.86 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.32 74.47 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 16.9 m -91.73 99.65 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.93 29.9 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.7 mtt -109.72 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 169.98 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.89 140.31 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -69.15 124.24 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.402 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.4 97.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.91 73.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -72.78 -177.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 m -143.92 31.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.17 -176.62 16.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 148.34 61.73 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.544 2.163 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 t -103.92 -61.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.5 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.504 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.04 159.99 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -71.87 -32.92 67.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.97 -154.34 30.41 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -138.73 165.28 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -78.26 -72.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 -126.72 1.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.3 pt -143.93 122.3 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -176.81 137.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' CE2' ' A' ' 34' ' ' PHE . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.99 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 102.9 8.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.6 mmm -146.0 87.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.18 119.26 4.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.87 -42.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -86.84 -177.55 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.0 mtp -107.24 -48.79 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.64 147.55 45.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.1 m -85.49 165.7 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -82.08 138.24 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.413 ' CE2' HD13 ' A' ' 72' ' ' LEU . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.413 HD13 ' CE2' ' A' ' 68' ' ' TYR . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.419 ' CD1' HD23 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.98 98.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.65 37.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -73.7 -37.67 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.2 m -86.82 114.57 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.79 -87.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.557 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 121.47 8.1 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.619 2.213 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -72.24 -31.54 65.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -126.36 112.13 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -68.3 -176.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 p -79.77 142.79 35.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -76.58 1.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -128.01 -71.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t 60.35 83.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.26 170.47 14.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.27 155.0 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p -154.27 163.33 40.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.24 101.61 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 116.93 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.17 -55.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.3 mmt -138.83 -49.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.67 59.11 4.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 8.9 m -97.57 -34.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.147 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.5 mm-40 -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ttt -98.48 31.71 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 87.91 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.2 137.56 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -75.88 124.02 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.12 119.46 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.74 -74.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 59.33 31.43 21.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -113.78 -68.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.34 96.48 0.65 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.23 -44.47 38.32 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.608 2.205 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.0 m 59.63 161.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -163.79 98.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -138.18 80.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 127.6 26.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 p -116.32 32.73 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -75.26 78.85 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 -135.2 12.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.72 159.22 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p -138.87 170.3 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 34' ' ' PHE . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.438 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.74 101.1 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -70.38 110.21 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.55 -46.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -57.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.1 81.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -136.68 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -117.92 -177.31 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.42 125.53 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.36 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.14 126.87 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.05 107.97 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.96 125.95 22.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.07 -90.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt 64.55 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 36.13 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.95 -167.71 38.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.534 2.156 . . . . 0.0 112.356 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -45.45 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -161.68 163.26 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.498 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -122.77 123.25 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -93.16 90.97 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 107.69 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -81.56 127.13 32.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -95.06 143.7 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.65 32.64 9.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 mm -92.74 158.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 111.103 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m 60.79 157.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.52 100.93 4.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 176.64 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.55 -56.68 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttt -82.53 -67.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.19 55.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.8 m -86.57 89.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.206 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 83.2 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.5 mtp -118.42 -47.12 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.03 123.07 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 143.63 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -78.48 152.62 31.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD23 ' CD1' ' A' ' 103' ' ' PHE . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD23 ' A' ' 99' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.35 120.4 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.06 -45.23 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 63.57 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t 65.64 32.35 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.79 -99.85 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.86 155.46 14.41 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.476 2.118 . . . . 0.0 112.234 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -130.79 138.37 49.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.65 120.37 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -137.26 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -155.82 103.77 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 -174.39 43.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -132.25 -46.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -100.84 91.55 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 -117.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 pp -60.26 120.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m 60.84 161.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD23 ' CE2' ' A' ' 34' ' ' PHE . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.83 118.45 32.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.7 mmtt -73.03 103.12 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.4 -65.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.18 68.15 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.91 30.23 6.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.14 -31.02 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.12 32.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 ttt -131.91 156.21 46.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 169.09 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.17 126.79 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.56 128.8 37.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.78 99.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.39 30.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -47.87 21.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -126.02 -60.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.53 -113.82 1.15 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 138.15 67.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.237 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 32.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -171.11 132.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 33.77 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -76.75 157.77 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -40.41 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.84 100.32 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.03 -155.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.3 pt -131.93 135.33 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -108.51 -179.88 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' A' ' 34' ' ' PHE . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 HD13 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.426 ' CE2' HD21 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.56 114.59 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 100.0 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -177.75 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 tpt -117.08 -41.48 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.75 60.09 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.6 m -98.3 31.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -170.35 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -39.72 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.83 122.3 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 146.25 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -66.96 104.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.418 HD21 ' CD1' ' A' ' 103' ' ' PHE . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.418 ' CD1' HD21 ' A' ' 99' ' ' LEU . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.95 119.07 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.32 81.91 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -78.72 -31.48 46.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -66.5 106.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.07 -144.91 8.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.72 97.27 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -113.79 -176.99 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 t -121.23 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.451 -1.194 . . . . 0.0 112.483 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -150.25 162.59 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.23 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 -107.12 3.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t 60.71 101.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t 63.24 122.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.75 -116.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 pt -103.48 142.12 17.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m 60.86 159.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CD2' ' A' ' 34' ' ' PHE . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CD2' ' HB3' ' A' ' 14' ' ' ALA . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.41 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.41 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.31 102.37 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -145.85 178.87 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.0 31.66 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 ttm -146.6 -55.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.22 50.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.72 124.46 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -71.07 106.61 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 mtp -135.24 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 102.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.1 m -73.36 167.27 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -91.95 116.27 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.408 HD22 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.408 ' CD1' HD22 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.8 114.83 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.34 35.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -126.98 -52.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.79 68.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.27 -62.46 2.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.657 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.25 -27.86 55.9 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -60.64 132.92 55.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.43 139.46 32.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.504 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.6 32.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -106.85 -41.64 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 49.29 55.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -78.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.23 86.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.56 21.56 5.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 20.9 pt -158.45 177.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.056 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -150.3 172.89 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.421 HD13 ' CE1' ' A' ' 34' ' ' PHE . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CE1' HD13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.419 HG22 ' CZ ' ' A' ' 103' ' ' PHE . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -122.33 100.0 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -152.14 152.83 32.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.74 -55.98 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -33.47 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.07 98.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.422 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.9 p -114.09 -43.05 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.47 156.75 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mmt -101.75 -175.03 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.27 106.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 153.42 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -84.41 139.1 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.419 ' CZ ' HG22 ' A' ' 41' ' ' ILE . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.62 54.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -52.99 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -43.44 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.64 132.73 0.07 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.407 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.45 172.91 14.73 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.69 162.96 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 t 60.77 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.5 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -168.61 -45.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -95.66 160.08 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.69 139.01 3.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.12 112.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -69.56 163.55 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.23 173.17 32.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.67 141.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.93 135.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CD2' ' HB1' ' A' ' 14' ' ' ALA . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.71 106.46 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 103.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.8 -60.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 mmt -137.2 86.78 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.47 110.21 3.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -123.89 122.06 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 60.54 157.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.21 81.43 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 141.19 7.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.0 m -112.83 166.47 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -80.55 146.6 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.4 ' CD1' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.4 HD12 ' CD1' ' A' ' 68' ' ' TYR . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.35 110.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.84 -72.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.394 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.97 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -68.51 -38.43 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.68 159.96 29.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 120.57 7.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.587 2.191 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.48 133.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.38 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -77.79 179.61 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -106.96 145.95 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 65.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -83.14 162.21 21.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -93.02 -49.48 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 66.68 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.9 mp -72.0 150.77 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 62.08 115.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD13 HG21 ' A' ' 26' ' ' ILE . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -139.06 117.6 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 157.44 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 62.12 39.48 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 tpt -173.96 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.96 160.08 17.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.0 -32.05 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.03 39.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.1 ttp 63.34 31.64 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.11 104.65 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.94 146.76 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.58 115.54 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.16 114.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.01 -50.03 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 tttt 59.3 101.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.76 -54.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.84 78.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.92 -170.91 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.572 2.181 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.86 175.29 9.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.35 -53.04 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -50.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -145.9 141.05 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 33.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -142.09 -176.26 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.38 144.39 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.97 25.01 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.599 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.5 pt -161.05 96.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -131.75 166.39 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.433 ' CE1' ' CD1' ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.21 103.4 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -152.83 156.95 40.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.14 -34.58 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.42 -41.58 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.04 115.96 3.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -108.17 132.0 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 60.22 176.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtp -99.14 -41.23 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.01 121.87 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -78.25 163.12 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.29 119.23 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 50' ' ' PHE . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.49 109.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.48 96.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -97.45 38.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -78.88 90.16 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.7 -133.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 158.84 55.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.455 2.103 . . . . 0.0 112.194 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.8 p -123.75 25.57 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p 53.83 -168.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.053 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -93.16 141.76 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 100.99 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 -172.47 22.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -164.81 86.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -128.97 31.24 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 163.54 37.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.54 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -129.35 147.68 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -132.56 145.95 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.417 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.417 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.417 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.417 ' CE2' HD11 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.76 122.95 18.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 108.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -153.04 -54.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -119.07 -41.4 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.05 153.41 28.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.9 m -132.63 175.79 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -118.56 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.27 31.01 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -139.26 105.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.34 146.22 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.27 118.99 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.404 ' CD2' HD12 ' A' ' 72' ' ' LEU . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.404 HD12 ' CD2' ' A' ' 68' ' ' TYR . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.417 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.3 104.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.37 -28.3 2.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -59.56 156.48 13.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -136.75 111.53 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.06 97.01 0.63 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.419 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.67 139.39 48.22 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.233 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m 61.45 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.7 p -172.9 124.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.594 -0.203 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.75 138.98 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -154.02 -66.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.3 -103.72 2.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -165.51 157.96 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.98 31.67 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.04 -162.82 11.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.581 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 pt -157.72 133.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.087 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -108.49 158.7 17.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD21 ' CE2' ' A' ' 34' ' ' PHE . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.24 99.96 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -64.48 106.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -64.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 mtp -141.85 80.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.26 101.02 2.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.4 32.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -138.44 173.11 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.3 ptp -101.05 154.72 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.59 156.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 163.11 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -70.63 112.64 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.37 105.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.18 85.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -96.42 41.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.9 m -125.8 -58.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.24 67.91 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.61 -28.31 26.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 51.4 p -119.46 115.46 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.8 p -105.14 102.43 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.488 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.44 31.93 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.33 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -79.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.506 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.38 115.15 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 154.78 26.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -144.4 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 pp -136.69 140.0 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.48 154.89 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.452 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 HD12 ' CE1' ' A' ' 34' ' ' PHE . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB3' ' CD1' ' A' ' 39' ' ' PHE . . . -141.73 102.1 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -156.9 153.31 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.13 29.93 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -177.22 85.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.55 126.15 40.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.25 134.39 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.53 92.27 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.91 80.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 m -78.83 137.52 37.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.44 135.83 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.9 115.15 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.05 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.03 88.29 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.8 t 62.75 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.03 -173.92 15.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.64 -173.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.549 2.166 . . . . 0.0 112.266 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.4 m -128.06 109.11 11.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 p -162.17 132.65 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.487 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -119.19 31.67 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.44 -51.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.26 -126.78 8.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 177.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.89 156.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 121.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.5 mt -134.47 157.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -164.29 144.52 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.416 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 26' ' ' ILE . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 39' ' ' PHE . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.42 ' CE1' HG11 ' A' ' 37' ' ' VAL . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -107.5 100.28 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 116.77 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.66 -62.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -57.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.07 45.43 6.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.0 p -94.98 121.12 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 62.01 151.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -70.97 93.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -135.44 118.58 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.21 135.02 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.27 129.17 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.24 107.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 27.94 2.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -98.62 122.31 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 m -156.42 104.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.93 -174.21 24.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 153.2 68.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.549 2.166 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 -49.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p -106.83 158.79 16.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 140.2 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -32.96 14.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.29 -122.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -67.65 166.33 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.38 31.37 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 -168.25 10.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.52 158.8 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.73 146.73 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' CG1' ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.449 ' CD2' ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 34' ' ' PHE . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.449 ' CE2' ' CD2' ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.402 HG13 ' CE2' ' A' ' 39' ' ' PHE . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' CE2' HG13 ' A' ' 37' ' ' VAL . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -144.59 100.13 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.27 167.33 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -100.57 31.99 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.28 61.14 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.531 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.01 178.32 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 94.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -173.3 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.74 97.89 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.92 169.21 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -81.63 134.14 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.404 ' CG1' ' CG1' ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.5 121.79 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.84 93.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -109.13 164.1 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -129.04 88.63 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.45 -60.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 154.57 68.03 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.533 2.155 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t 61.12 41.33 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 139.96 36.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.488 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -160.71 132.2 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.34 -41.91 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.72 -118.69 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 -179.85 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -80.57 -60.26 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.07 -163.49 29.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mp -86.66 158.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m -144.91 151.07 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' HB2' ' CD2' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 HD22 ' CE2' ' A' ' 34' ' ' PHE . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 HD11 ' CE1' ' A' ' 34' ' ' PHE . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.06 100.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 11.4 mmmt -144.41 177.63 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.3 -36.04 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.0 mmm -107.29 -31.91 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.67 81.36 1.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.3 p -102.45 128.32 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.04 101.96 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -134.65 143.93 47.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 155.6 45.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.8 148.26 22.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.8 94.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.29 49.3 0.48 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 28.18 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.717 0.294 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -90.02 -63.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.8 150.38 29.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.54 93.04 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.499 2.133 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 -31.61 22.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.2 p -148.44 166.43 28.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.459 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 60.57 31.58 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -111.8 150.93 29.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.65 -133.63 6.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 60.15 34.44 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -85.09 -179.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.45 16.8 7.42 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.692 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt 61.61 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -178.06 128.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.401 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.406 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.31 116.1 29.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 tmtt? -71.17 100.88 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.1 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -121.97 -177.49 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.94 67.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.572 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.28 -30.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -168.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.22 40.28 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -146.56 135.71 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.03 164.97 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -88.69 109.67 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CZ ' HG23 ' A' ' 41' ' ' ILE . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.74 72.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.76 44.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.539 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 154.28 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.87 -70.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.22 76.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.612 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.21 131.27 40.21 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.546 2.164 . . . . 0.0 112.202 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -120.58 122.94 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -94.04 -45.49 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.452 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.17 131.89 51.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -157.16 105.83 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -101.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -77.11 164.67 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -155.99 -48.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.03 -117.19 2.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.21 154.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t 60.96 155.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.408 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.418 ' CD2' ' HB1' ' A' ' 14' ' ' ALA . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.57 117.65 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -72.86 104.47 4.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -174.81 -42.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.64 69.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.67 -170.34 46.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.578 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 m -110.03 -20.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 84.78 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ptm -179.1 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -167.0 166.21 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 19.4 m -96.05 148.27 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -74.57 101.46 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 123.89 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.05 -60.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 78.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p 59.18 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.69 144.11 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.65 142.67 60.26 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.565 2.176 . . . . 0.0 112.251 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -90.23 124.19 34.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 -55.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.454 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 90' ' ' VAL . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 90' ' ' VAL . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.737 HD12 HG13 ' A' ' 81' ' ' VAL . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.403 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 69' ' ' GLN . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.737 HG13 HD12 ' A' ' 24' ' ' LEU . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.777 HG22 HD12 ' A' ' 23' ' ' LEU . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.796 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 91' ' ' ASN . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' OD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 33' ' ' GLN . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HB3' HD12 ' A' ' 29' ' ' LEU . 2.3 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 33' ' ' GLN . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 52' ' ' VAL . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.756 HD13 HG21 ' A' ' 92' ' ' VAL . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 79' ' ' VAL . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.796 HG22 ' CD1' ' A' ' 23' ' ' LEU . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 24' ' ' LEU . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.756 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' HD22 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 90' ' ' VAL . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.631 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 71' ' ' LEU . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 66' ' ' LEU . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HB2' HG11 ' A' ' 92' ' ' VAL . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 23' ' ' LEU . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 HD22 ' A' ' 71' ' ' LEU . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.541 ' HA ' HD12 ' A' ' 99' ' ' LEU . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 96' ' ' ILE . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 103' ' ' PHE . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG12 HG13 ' A' ' 90' ' ' VAL . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 90' ' ' VAL . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 33' ' ' GLN . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' OE1' HD22 ' A' ' 29' ' ' LEU . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 44' ' ' THR . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' PRO . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 71' ' ' LEU . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 72' ' ' LEU . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 68' ' ' TYR . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 68' ' ' TYR . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.559 ' CE ' HD11 ' A' ' 84' ' ' LEU . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 82' ' ' MET . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 95' ' ' LEU . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 94' ' ' LEU . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 91' ' ' ASN . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 90' ' ' VAL . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 22' ' ' VAL . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 10' ' ' LEU . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 103' ' ' PHE . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.837 HD23 ' CE2' ' A' ' 34' ' ' PHE . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 81' ' ' VAL . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 28' ' ' ASP . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.837 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 53' ' ' LYS . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' VAL . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 71' ' ' LEU . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' HD1' ' A' ' 68' ' ' TYR . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 68' ' ' TYR . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 92' ' ' VAL . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 24' ' ' LEU . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD12 ' A' ' 23' ' ' LEU . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.414 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 90' ' ' VAL . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 68' ' ' TYR . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' A' ' 10' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 103' ' ' PHE . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.955 HD12 HG22 ' A' ' 90' ' ' VAL . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD12 HG13 ' A' ' 81' ' ' VAL . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 71' ' ' LEU . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 HD21 ' A' ' 66' ' ' LEU . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 92' ' ' VAL . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 81' ' ' VAL . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.955 HG22 HD12 ' A' ' 23' ' ' LEU . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.655 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 90' ' ' VAL . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.844 0.354 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' ALA . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 90' ' ' VAL . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 90' ' ' VAL . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 81' ' ' VAL . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 33' ' ' GLN . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 29' ' ' LEU . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 81' ' ' VAL . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HD12 ' A' ' 24' ' ' LEU . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' ILE . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 23' ' ' LEU . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 21' ' ' GLY . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 38' ' ' ILE . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.62 HG12 HG13 ' A' ' 90' ' ' VAL . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD23 ' CE2' ' A' ' 34' ' ' PHE . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' HG13 ' A' ' 81' ' ' VAL . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 26' ' ' ILE . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 33' ' ' GLN . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 11' ' ' LYS . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 72' ' ' LEU . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' GLN . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 92' ' ' VAL . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 90' ' ' VAL . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG13 HG12 ' A' ' 22' ' ' VAL . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' N ' HG12 ' A' ' 90' ' ' VAL . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 74' ' ' LEU . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 103' ' ' PHE . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' ALA . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 90' ' ' VAL . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 90' ' ' VAL . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 81' ' ' VAL . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.607 HD11 HD21 ' A' ' 23' ' ' LEU . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 92' ' ' VAL . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.766 HG13 HD12 ' A' ' 24' ' ' LEU . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.663 ' HD3' HG11 ' A' ' 81' ' ' VAL . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.942 HG11 HD13 ' A' ' 95' ' ' LEU . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 74' ' ' LEU . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.942 HD13 HG11 ' A' ' 90' ' ' VAL . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 10' ' ' LEU . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG12 ' CG1' ' A' ' 90' ' ' VAL . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.78 HD12 HG13 ' A' ' 81' ' ' VAL . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.662 HD11 ' HG3' ' A' ' 11' ' ' LYS . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.602 HG21 ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 HD23 ' A' ' 95' ' ' LEU . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 92' ' ' VAL . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.78 HG13 HD12 ' A' ' 24' ' ' LEU . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' N ' HG12 ' A' ' 90' ' ' VAL . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 74' ' ' LEU . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 94' ' ' LEU . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 HD22 ' A' ' 71' ' ' LEU . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' CG ' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 90' ' ' VAL . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 91' ' ' ASN . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 38' ' ' ILE . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 ' CG ' ' A' ' 11' ' ' LYS . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 53' ' ' LYS . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 52' ' ' VAL . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' CE ' ' A' ' 82' ' ' MET . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.678 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 68' ' ' TYR . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 92' ' ' VAL . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.535 ' CE ' HD11 ' A' ' 66' ' ' LEU . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 84' ' ' LEU . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' CG1' HG12 ' A' ' 22' ' ' VAL . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 74' ' ' LEU . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.705 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.699 HD12 ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 37' ' ' VAL . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.538 ' CG2' HD12 ' A' ' 29' ' ' LEU . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' ILE . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.588 HG12 ' HZ ' ' A' ' 85' ' ' PHE . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.45 ' HB2' HG22 ' A' ' 92' ' ' VAL . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD12 ' CG2' ' A' ' 90' ' ' VAL . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 52' ' ' VAL . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' A' ' 24' ' ' LEU . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.705 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 82' ' ' MET . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 HG13 ' A' ' 81' ' ' VAL . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD13 HG12 ' A' ' 96' ' ' ILE . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 24' ' ' LEU . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 90' ' ' VAL . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 71' ' ' LEU . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.707 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 90' ' ' VAL . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 HG13 ' A' ' 81' ' ' VAL . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' ILE . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.467 ' HE1' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 96' ' ' ILE . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE1' ' A' ' 68' ' ' TYR . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' VAL . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 79' ' ' VAL . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.524 HD12 ' CG2' ' A' ' 90' ' ' VAL . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.776 HG22 HD12 ' A' ' 23' ' ' LEU . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.458 ' N ' HG12 ' A' ' 90' ' ' VAL . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 21' ' ' GLY . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HG11 ' A' ' 90' ' ' VAL . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.452 HG12 HD13 ' A' ' 71' ' ' LEU . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.821 HD12 HG22 ' A' ' 90' ' ' VAL . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' OD1' ' A' ' 28' ' ' ASP . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' OD1' HG22 ' A' ' 26' ' ' ILE . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 33' ' ' GLN . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 29' ' ' LEU . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.77 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HD1' ' HB2' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB2' ' HD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.524 ' HB2' HG22 ' A' ' 92' ' ' VAL . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 84' ' ' LEU . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.821 HG22 HD12 ' A' ' 23' ' ' LEU . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' VAL . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 82' ' ' MET . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 90' ' ' VAL . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 102' ' ' LYS . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 98' ' ' LEU . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' HD11 ' A' ' 38' ' ' ILE . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 90' ' ' VAL . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 34' ' ' PHE . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 81' ' ' VAL . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 37' ' ' VAL . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 29' ' ' LEU . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 11' ' ' LYS . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 71' ' ' LEU . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 66' ' ' LEU . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 81' ' ' VAL . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 24' ' ' LEU . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 90' ' ' VAL . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 95' ' ' LEU . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' VAL . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 96' ' ' ILE . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 90' ' ' VAL . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 92' ' ' VAL . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 12' ' ' TYR . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 38' ' ' ILE . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' HE2' HD22 ' A' ' 10' ' ' LEU . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD23 ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 81' ' ' VAL . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.705 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 11' ' ' LYS . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 47' ' ' VAL . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 71' ' ' LEU . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 HD23 ' A' ' 95' ' ' LEU . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.653 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.64 HG22 HD13 ' A' ' 24' ' ' LEU . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HD2' HG11 ' A' ' 81' ' ' VAL . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.785 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 74' ' ' LEU . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 71' ' ' LEU . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.768 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 81' ' ' VAL . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CA ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 33' ' ' GLN . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 52' ' ' VAL . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 72' ' ' LEU . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 68' ' ' TYR . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 92' ' ' VAL . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 24' ' ' LEU . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.415 ' CE ' HD11 ' A' ' 66' ' ' LEU . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG22 ' CD1' ' A' ' 23' ' ' LEU . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HD12 ' A' ' 94' ' ' LEU . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD12 HD22 ' A' ' 91' ' ' ASN . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 90' ' ' VAL . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.49 HG23 ' CE1' ' A' ' 68' ' ' TYR . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 98' ' ' LEU . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' CD1' HG22 ' A' ' 90' ' ' VAL . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 91' ' ' ASN . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.5 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.515 HD11 ' HD3' ' A' ' 11' ' ' LYS . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 81' ' ' VAL . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 79' ' ' VAL . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 92' ' ' VAL . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 84' ' ' LEU . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 23' ' ' LEU . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 24' ' ' LEU . 2.5 t-20 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 22' ' ' VAL . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' ILE . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 38' ' ' ILE . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 37' ' ' VAL . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.646 HD12 HG22 ' A' ' 90' ' ' VAL . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 23' ' ' LEU . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 29' ' ' LEU . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 13' ' ' THR . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.753 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 51' ' ' GLU . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.838 0.351 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 71' ' ' LEU . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 66' ' ' LEU . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 68' ' ' TYR . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 90' ' ' VAL . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HD3' HG11 ' A' ' 81' ' ' VAL . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 23' ' ' LEU . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 2.8 t-20 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 71' ' ' LEU . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 21' ' ' GLY . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 90' ' ' VAL . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -106.57 -62.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.9 84.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 122.83 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -67.97 103.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 157.29 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 -131.35 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 mt 63.69 143.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -91.24 132.67 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 90' ' ' VAL . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 90' ' ' VAL . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.737 HD12 HG13 ' A' ' 81' ' ' VAL . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.403 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG23 ' HB3' ' A' ' 55' ' ' LYS . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.69 107.18 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HB3' HG23 ' A' ' 38' ' ' ILE . 5.1 tttt -59.95 119.58 8.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -56.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 mtt -114.88 -37.86 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.32 74.47 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.9 m -91.73 99.65 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.93 29.9 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.7 mtt -109.72 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 169.98 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.89 140.31 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -69.15 124.24 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 69' ' ' GLN . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.737 HG13 HD12 ' A' ' 24' ' ' LEU . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.777 HG22 HD12 ' A' ' 23' ' ' LEU . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.4 97.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.91 73.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -72.78 -177.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 m -143.92 31.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.17 -176.62 16.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 148.34 61.73 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.544 2.163 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 t -103.92 -61.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.5 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.504 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.04 159.99 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -71.87 -32.92 67.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.97 -154.34 30.41 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -138.73 165.28 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -78.26 -72.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 -126.72 1.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.3 pt -143.93 122.3 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -176.81 137.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.796 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 91' ' ' ASN . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' OD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 33' ' ' GLN . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HB3' HD12 ' A' ' 29' ' ' LEU . 2.3 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 33' ' ' GLN . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.859 ' HD2' HG23 ' A' ' 63' ' ' THR . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.99 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 102.9 8.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.6 mmm -146.0 87.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.18 119.26 4.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.87 -42.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -86.84 -177.55 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.0 mtp -107.24 -48.79 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.64 147.55 45.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.859 HG23 ' HD2' ' A' ' 53' ' ' LYS . 1.1 m -85.49 165.7 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -82.08 138.24 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 52' ' ' VAL . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.756 HD13 HG21 ' A' ' 92' ' ' VAL . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 79' ' ' VAL . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.796 HG22 ' CD1' ' A' ' 23' ' ' LEU . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 24' ' ' LEU . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.756 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' HD22 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.98 98.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.65 37.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -73.7 -37.67 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.2 m -86.82 114.57 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.79 -87.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.557 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 121.47 8.1 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.619 2.213 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -72.24 -31.54 65.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -126.36 112.13 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -68.3 -176.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 p -79.77 142.79 35.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -76.58 1.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -128.01 -71.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t 60.35 83.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.26 170.47 14.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 9' ' ' SER . 4.5 mt -127.27 155.0 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 8' ' ' ILE . 60.0 p -154.27 163.33 40.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 90' ' ' VAL . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.631 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.563 HG23 ' CB ' ' A' ' 55' ' ' LYS . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB2' HG22 ' A' ' 63' ' ' THR . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.24 101.61 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.01 116.93 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.17 -55.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.3 mmt -138.83 -49.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.67 59.11 4.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG23 ' HG2' ' A' ' 60' ' ' GLN . 8.9 m -97.57 -34.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' HG2' HG23 ' A' ' 59' ' ' VAL . 7.5 mm-40 -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ttt -98.48 31.71 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 87.91 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -98.2 137.56 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -75.88 124.02 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 71' ' ' LEU . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 66' ' ' LEU . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HB2' HG11 ' A' ' 92' ' ' VAL . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 23' ' ' LEU . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 HD22 ' A' ' 71' ' ' LEU . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.541 ' HA ' HD12 ' A' ' 99' ' ' LEU . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 96' ' ' ILE . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.12 119.46 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.74 -74.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 59.33 31.43 21.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -113.78 -68.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.34 96.48 0.65 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.23 -44.47 38.32 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.608 2.205 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.0 m 59.63 161.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -163.79 98.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -138.18 80.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 127.6 26.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 p -116.32 32.73 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -75.26 78.85 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 -135.2 12.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.72 159.22 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p -138.87 170.3 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 103' ' ' PHE . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG12 HG13 ' A' ' 90' ' ' VAL . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 90' ' ' VAL . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 33' ' ' GLN . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' OE1' HD22 ' A' ' 29' ' ' LEU . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 44' ' ' THR . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' PRO . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HD3' HG22 ' A' ' 63' ' ' THR . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.74 101.1 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -70.38 110.21 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.55 -46.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -57.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.1 81.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -136.68 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -117.92 -177.31 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.42 125.53 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.36 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.599 HG22 ' HD3' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -97.14 126.87 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.05 107.97 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 71' ' ' LEU . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 72' ' ' LEU . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 68' ' ' TYR . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 68' ' ' TYR . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.559 ' CE ' HD11 ' A' ' 84' ' ' LEU . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 82' ' ' MET . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 95' ' ' LEU . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 94' ' ' LEU . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 91' ' ' ASN . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 90' ' ' VAL . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 22' ' ' VAL . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 10' ' ' LEU . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.96 125.95 22.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.07 -90.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt 64.55 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 36.13 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.95 -167.71 38.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.534 2.156 . . . . 0.0 112.356 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -45.45 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -161.68 163.26 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.498 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -122.77 123.25 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -93.16 90.97 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 107.69 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.64 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.9 m -81.56 127.13 32.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -95.06 143.7 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.65 32.64 9.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.64 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.5 mm -92.74 158.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.1 m 60.79 157.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 103' ' ' PHE . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.837 HD23 ' CE2' ' A' ' 34' ' ' PHE . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 81' ' ' VAL . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 28' ' ' ASP . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.837 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 53' ' ' LYS . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' VAL . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.52 100.93 4.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 176.64 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.55 -56.68 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttt -82.53 -67.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.19 55.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.8 m -86.57 89.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.206 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 83.2 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.5 mtp -118.42 -47.12 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.03 123.07 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 143.63 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -78.48 152.62 31.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 71' ' ' LEU . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' HD1' ' A' ' 68' ' ' TYR . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 68' ' ' TYR . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 92' ' ' VAL . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 24' ' ' LEU . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD12 ' A' ' 23' ' ' LEU . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.414 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 90' ' ' VAL . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 68' ' ' TYR . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' A' ' 10' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.35 120.4 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.06 -45.23 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 63.57 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t 65.64 32.35 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.79 -99.85 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.86 155.46 14.41 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.476 2.118 . . . . 0.0 112.234 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -130.79 138.37 49.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.65 120.37 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -137.26 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -155.82 103.77 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 -174.39 43.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -132.25 -46.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -100.84 91.55 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 -117.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 pp -60.26 120.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m 60.84 161.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 103' ' ' PHE . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.955 HD12 HG22 ' A' ' 90' ' ' VAL . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD12 HG13 ' A' ' 81' ' ' VAL . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 55' ' ' LYS . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.83 118.45 32.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB2' HG23 ' A' ' 38' ' ' ILE . 11.7 mmtt -73.03 103.12 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.4 -65.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.18 68.15 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.91 30.23 6.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.14 -31.02 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.12 32.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 ttt -131.91 156.21 46.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 169.09 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.17 126.79 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.56 128.8 37.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 71' ' ' LEU . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 HD21 ' A' ' 66' ' ' LEU . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 92' ' ' VAL . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 81' ' ' VAL . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.955 HG22 HD12 ' A' ' 23' ' ' LEU . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.655 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 90' ' ' VAL . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.78 99.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.39 30.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -47.87 21.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -126.02 -60.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.53 -113.82 1.15 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 138.15 67.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.237 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 32.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -171.11 132.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 33.77 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -76.75 157.77 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -40.41 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.84 100.32 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.03 -155.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.3 pt -131.93 135.33 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -108.51 -179.88 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' ALA . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 90' ' ' VAL . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 90' ' ' VAL . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 81' ' ' VAL . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 33' ' ' GLN . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 29' ' ' LEU . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.56 114.59 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 100.0 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -177.75 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 tpt -117.08 -41.48 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.75 60.09 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.6 m -98.3 31.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -170.35 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -39.72 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.83 122.3 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 146.25 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -66.96 104.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 81' ' ' VAL . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HD12 ' A' ' 24' ' ' LEU . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' ILE . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 23' ' ' LEU . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 21' ' ' GLY . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.95 119.07 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.32 81.91 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -78.72 -31.48 46.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -66.5 106.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.07 -144.91 8.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.72 97.27 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -113.79 -176.99 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 t -121.23 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.451 -1.194 . . . . 0.0 112.483 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -150.25 162.59 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.23 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 -107.12 3.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t 60.71 101.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t 63.24 122.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.75 -116.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 pt -103.48 142.12 17.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m 60.86 159.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 38' ' ' ILE . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.62 HG12 HG13 ' A' ' 90' ' ' VAL . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD23 ' CE2' ' A' ' 34' ' ' PHE . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' HG13 ' A' ' 81' ' ' VAL . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 26' ' ' ILE . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 33' ' ' GLN . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 11' ' ' LYS . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 63' ' ' THR . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 63' ' ' THR . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HB2' HG23 ' A' ' 63' ' ' THR . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.31 102.37 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -145.85 178.87 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.0 31.66 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 ttm -146.6 -55.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.22 50.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.72 124.46 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -71.07 106.61 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 mtp -135.24 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 102.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 51' ' ' GLU . 3.1 m -73.36 167.27 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -91.95 116.27 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 72' ' ' LEU . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' GLN . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 92' ' ' VAL . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 90' ' ' VAL . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG13 HG12 ' A' ' 22' ' ' VAL . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' N ' HG12 ' A' ' 90' ' ' VAL . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 74' ' ' LEU . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.8 114.83 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.34 35.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -126.98 -52.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.79 68.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.27 -62.46 2.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.657 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.25 -27.86 55.9 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -60.64 132.92 55.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.43 139.46 32.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.504 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.6 32.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -106.85 -41.64 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 49.29 55.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -78.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.23 86.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -128.56 21.56 5.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' GLY . 20.9 pt -158.45 177.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.056 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -150.3 172.89 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 103' ' ' PHE . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' ALA . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 90' ' ' VAL . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 90' ' ' VAL . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 81' ' ' VAL . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.607 HD11 HD21 ' A' ' 23' ' ' LEU . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 29' ' ' LEU . 0.0 OUTLIER -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.33 100.0 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -152.14 152.83 32.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.74 -55.98 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -33.47 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.07 98.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.422 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 60' ' ' GLN . 10.9 p -114.09 -43.05 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.451 ' N ' HG13 ' A' ' 59' ' ' VAL . 2.2 tt0 -75.47 156.75 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mmt -101.75 -175.03 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.27 106.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 153.42 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -84.41 139.1 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 92' ' ' VAL . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.766 HG13 HD12 ' A' ' 24' ' ' LEU . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.663 ' HD3' HG11 ' A' ' 81' ' ' VAL . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.942 HG11 HD13 ' A' ' 95' ' ' LEU . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 74' ' ' LEU . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.942 HD13 HG11 ' A' ' 90' ' ' VAL . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 10' ' ' LEU . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.62 54.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -52.99 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -43.44 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.64 132.73 0.07 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.407 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.45 172.91 14.73 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.69 162.96 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 t 60.77 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.5 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -168.61 -45.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -95.66 160.08 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.69 139.01 3.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.12 112.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -69.56 163.55 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.23 173.17 32.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.67 141.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.93 135.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG12 ' CG1' ' A' ' 90' ' ' VAL . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.78 HD12 HG13 ' A' ' 81' ' ' VAL . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.662 HD11 ' HG3' ' A' ' 11' ' ' LYS . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.602 HG21 ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' HG2' HG21 ' A' ' 63' ' ' THR . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' HD3' HG23 ' A' ' 63' ' ' THR . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.71 106.46 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 103.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.8 -60.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 mmt -137.2 86.78 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.47 110.21 3.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.1 p -123.89 122.06 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 60.54 157.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.21 81.43 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 141.19 7.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' HD3' ' A' ' 53' ' ' LYS . 4.0 m -112.83 166.47 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -80.55 146.6 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 HD23 ' A' ' 95' ' ' LEU . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 92' ' ' VAL . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.78 HG13 HD12 ' A' ' 24' ' ' LEU . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' N ' HG12 ' A' ' 90' ' ' VAL . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 74' ' ' LEU . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 94' ' ' LEU . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 HD22 ' A' ' 71' ' ' LEU . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.35 110.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.84 -72.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.394 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.97 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -68.51 -38.43 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.68 159.96 29.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 120.57 7.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.587 2.191 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.48 133.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.38 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -77.79 179.61 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -106.96 145.95 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 65.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -83.14 162.21 21.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -93.02 -49.48 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 66.68 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 8' ' ' ILE . 3.9 mp -72.0 150.77 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 62.08 115.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' CG ' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 90' ' ' VAL . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 91' ' ' ASN . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 38' ' ' ILE . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 ' CG ' ' A' ' 11' ' ' LYS . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HG21 ' A' ' 63' ' ' THR . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 63' ' ' THR . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HD2' HG23 ' A' ' 63' ' ' THR . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -139.06 117.6 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 157.44 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 62.12 39.48 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 tpt -173.96 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.96 160.08 17.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.0 -32.05 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.03 39.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.1 ttp 63.34 31.64 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.11 104.65 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -59.94 146.76 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.58 115.54 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' CE ' ' A' ' 82' ' ' MET . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.678 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 68' ' ' TYR . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 92' ' ' VAL . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.535 ' CE ' HD11 ' A' ' 66' ' ' LEU . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 84' ' ' LEU . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' CG1' HG12 ' A' ' 22' ' ' VAL . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 74' ' ' LEU . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.16 114.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.01 -50.03 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 tttt 59.3 101.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.76 -54.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.84 78.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.92 -170.91 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.572 2.181 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.86 175.29 9.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.35 -53.04 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -50.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -145.9 141.05 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 33.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -142.09 -176.26 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.38 144.39 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -107.97 25.01 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.599 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 7' ' ' GLY . 8.5 pt -161.05 96.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -131.75 166.39 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.705 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.699 HD12 ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 37' ' ' VAL . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.538 ' CG2' HD12 ' A' ' 29' ' ' LEU . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' ILE . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 63' ' ' THR . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.588 HG12 ' HZ ' ' A' ' 85' ' ' PHE . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 63' ' ' THR . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.21 103.4 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -152.83 156.95 40.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.14 -34.58 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.42 -41.58 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.04 115.96 3.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -108.17 132.0 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 60.22 176.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtp -99.14 -41.23 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.01 121.87 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -78.25 163.12 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.29 119.23 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.45 ' HB2' HG22 ' A' ' 92' ' ' VAL . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD12 ' CG2' ' A' ' 90' ' ' VAL . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 52' ' ' VAL . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' A' ' 24' ' ' LEU . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.705 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 82' ' ' MET . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.49 109.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.48 96.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -97.45 38.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -78.88 90.16 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.7 -133.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 158.84 55.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.455 2.103 . . . . 0.0 112.194 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.8 p -123.75 25.57 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p 53.83 -168.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.053 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -93.16 141.76 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 100.99 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 -172.47 22.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -164.81 86.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -128.97 31.24 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 163.54 37.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.54 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -129.35 147.68 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -132.56 145.95 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 HG13 ' A' ' 81' ' ' VAL . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.76 122.95 18.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 108.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -153.04 -54.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -119.07 -41.4 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.05 153.41 28.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' GLU . 20.9 m -132.63 175.79 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -118.56 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.27 31.01 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HG21 ' A' ' 59' ' ' VAL . 13.0 mt-10 -139.26 105.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.34 146.22 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.27 118.99 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD13 HG12 ' A' ' 96' ' ' ILE . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 24' ' ' LEU . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 90' ' ' VAL . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 71' ' ' LEU . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.3 104.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.37 -28.3 2.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -59.56 156.48 13.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -136.75 111.53 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.06 97.01 0.63 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.419 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.67 139.39 48.22 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.233 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m 61.45 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.7 p -172.9 124.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.594 -0.203 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.75 138.98 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -154.02 -66.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.3 -103.72 2.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -165.51 157.96 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.98 31.67 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -157.04 -162.82 11.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.581 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.3 pt -157.72 133.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -108.49 158.7 17.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.707 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 90' ' ' VAL . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 HG13 ' A' ' 81' ' ' VAL . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 38' ' ' ILE . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' THR . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.642 ' HD2' HG23 ' A' ' 63' ' ' THR . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.24 99.96 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -64.48 106.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -64.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 mtp -141.85 80.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.26 101.02 2.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.4 32.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -138.44 173.11 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.3 ptp -101.05 154.72 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.59 156.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -96.78 163.11 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -70.63 112.64 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.467 ' HE1' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 96' ' ' ILE . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE1' ' A' ' 68' ' ' TYR . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' VAL . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 79' ' ' VAL . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.524 HD12 ' CG2' ' A' ' 90' ' ' VAL . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.776 HG22 HD12 ' A' ' 23' ' ' LEU . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.458 ' N ' HG12 ' A' ' 90' ' ' VAL . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 21' ' ' GLY . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HG11 ' A' ' 90' ' ' VAL . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.452 HG12 HD13 ' A' ' 71' ' ' LEU . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.37 105.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.18 85.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -96.42 41.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.9 m -125.8 -58.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.24 67.91 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.61 -28.31 26.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 51.4 p -119.46 115.46 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.8 p -105.14 102.43 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.488 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.44 31.93 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.33 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -79.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.506 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.38 115.15 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 154.78 26.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -144.4 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 pp -136.69 140.0 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.48 154.89 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.821 HD12 HG22 ' A' ' 90' ' ' VAL . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' OD1' ' A' ' 28' ' ' ASP . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' OD1' HG22 ' A' ' 26' ' ' ILE . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 33' ' ' GLN . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 29' ' ' LEU . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.77 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HD1' ' HB2' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG2' HG21 ' A' ' 63' ' ' THR . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB2' ' HD1' ' A' ' 39' ' ' PHE . . . -141.73 102.1 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -156.9 153.31 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.13 29.93 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -177.22 85.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.55 126.15 40.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.25 134.39 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.53 92.27 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.91 80.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 ' HG2' ' A' ' 51' ' ' GLU . 2.0 m -78.83 137.52 37.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.44 135.83 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.524 ' HB2' HG22 ' A' ' 92' ' ' VAL . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 84' ' ' LEU . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.821 HG22 HD12 ' A' ' 23' ' ' LEU . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' VAL . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 82' ' ' MET . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 90' ' ' VAL . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 102' ' ' LYS . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 98' ' ' LEU . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.9 115.15 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.05 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.03 88.29 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.8 t 62.75 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.03 -173.92 15.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.64 -173.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.549 2.166 . . . . 0.0 112.266 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.4 m -128.06 109.11 11.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 p -162.17 132.65 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.487 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -119.19 31.67 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.44 -51.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.26 -126.78 8.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 177.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.89 156.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 121.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 9' ' ' SER . 23.5 mt -134.47 157.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.4 m -164.29 144.52 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' HD11 ' A' ' 38' ' ' ILE . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 90' ' ' VAL . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 34' ' ' PHE . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 81' ' ' VAL . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 37' ' ' VAL . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 29' ' ' LEU . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 11' ' ' LYS . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . . . -107.5 100.28 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 116.77 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.66 -62.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -57.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.07 45.43 6.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 59' ' ' VAL . 12.0 p -94.98 121.12 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 62.01 151.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -70.97 93.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -135.44 118.58 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.21 135.02 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.27 129.17 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 71' ' ' LEU . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 66' ' ' LEU . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 81' ' ' VAL . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 24' ' ' LEU . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 90' ' ' VAL . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 95' ' ' LEU . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' VAL . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 96' ' ' ILE . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 90' ' ' VAL . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 92' ' ' VAL . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.24 107.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 27.94 2.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -98.62 122.31 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 m -156.42 104.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.93 -174.21 24.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 153.2 68.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.549 2.166 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 -49.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p -106.83 158.79 16.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 140.2 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -32.96 14.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.29 -122.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -67.65 166.33 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.38 31.37 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 -168.25 10.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 9' ' ' SER . 3.8 mp -121.52 158.8 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -103.73 146.73 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 12' ' ' TYR . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 38' ' ' ILE . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' HE2' HD22 ' A' ' 10' ' ' LEU . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD23 ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 81' ' ' VAL . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.705 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.405 ' O ' ' ND2' ' A' ' 36' ' ' ASN . 0.4 OUTLIER -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 11' ' ' LYS . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 47' ' ' VAL . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -144.59 100.13 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.27 167.33 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -100.57 31.99 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.28 61.14 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.531 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.01 178.32 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 94.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -173.3 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.74 97.89 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.92 169.21 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -81.63 134.14 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 71' ' ' LEU . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 HD23 ' A' ' 95' ' ' LEU . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.653 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.64 HG22 HD13 ' A' ' 24' ' ' LEU . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HD2' HG11 ' A' ' 81' ' ' VAL . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.785 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 74' ' ' LEU . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 71' ' ' LEU . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.5 121.79 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.84 93.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -109.13 164.1 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -129.04 88.63 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.45 -60.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 154.57 68.03 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.533 2.155 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t 61.12 41.33 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 139.96 36.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.488 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -160.71 132.2 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.34 -41.91 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.72 -118.69 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 -179.85 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -80.57 -60.26 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.07 -163.49 29.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 9' ' ' SER . 2.9 mp -86.66 158.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' HG22 ' A' ' 8' ' ' ILE . 18.1 m -144.91 151.07 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.768 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 81' ' ' VAL . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CA ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 33' ' ' GLN . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.06 100.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 59' ' ' VAL . 11.4 mmmt -144.41 177.63 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.3 -36.04 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.0 mmm -107.29 -31.91 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.67 81.36 1.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.492 HG12 ' HE2' ' A' ' 55' ' ' LYS . 12.3 p -102.45 128.32 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.04 101.96 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -134.65 143.93 47.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 155.6 45.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.8 148.26 22.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 52' ' ' VAL . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 72' ' ' LEU . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 68' ' ' TYR . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 92' ' ' VAL . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 24' ' ' LEU . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.415 ' CE ' HD11 ' A' ' 66' ' ' LEU . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG22 ' CD1' ' A' ' 23' ' ' LEU . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HD12 ' A' ' 94' ' ' LEU . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD12 HD22 ' A' ' 91' ' ' ASN . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 90' ' ' VAL . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.49 HG23 ' CE1' ' A' ' 68' ' ' TYR . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.8 94.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.29 49.3 0.48 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 28.18 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.717 0.294 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -90.02 -63.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.8 150.38 29.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.54 93.04 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.499 2.133 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 -31.61 22.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.2 p -148.44 166.43 28.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.459 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 60.57 31.58 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -111.8 150.93 29.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.65 -133.63 6.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 60.15 34.44 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -85.09 -179.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.45 16.8 7.42 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.692 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt 61.61 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -178.06 128.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 98' ' ' LEU . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' CD1' HG22 ' A' ' 90' ' ' VAL . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 91' ' ' ASN . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.5 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 55' ' ' LYS . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD3' HG22 ' A' ' 63' ' ' THR . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.31 116.1 29.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.6 tmtt? -71.17 100.88 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.1 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -121.97 -177.49 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.94 67.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.572 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.28 -30.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -168.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.22 40.28 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -146.56 135.71 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.535 HG22 ' HD3' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -71.03 164.97 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -88.69 109.67 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 81' ' ' VAL . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 79' ' ' VAL . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 92' ' ' VAL . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 84' ' ' LEU . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 23' ' ' LEU . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 24' ' ' LEU . 2.5 t-20 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 22' ' ' VAL . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.74 72.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.76 44.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.539 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 154.28 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.87 -70.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.22 76.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.612 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.21 131.27 40.21 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.546 2.164 . . . . 0.0 112.202 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -120.58 122.94 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -94.04 -45.49 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.452 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.17 131.89 51.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -157.16 105.83 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -101.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -77.11 164.67 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -155.99 -48.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.03 -117.19 2.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.21 154.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t 60.96 155.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' ILE . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 38' ' ' ILE . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 37' ' ' VAL . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD12 HG22 ' A' ' 90' ' ' VAL . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 23' ' ' LEU . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 29' ' ' LEU . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 13' ' ' THR . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.753 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 51' ' ' GLU . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 63' ' ' THR . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.57 117.65 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -72.86 104.47 4.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -174.81 -42.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.64 69.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.67 -170.34 46.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.578 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 m -110.03 -20.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 84.78 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ptm -179.1 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -167.0 166.21 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' HD3' ' A' ' 53' ' ' LYS . 19.4 m -96.05 148.27 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -74.57 101.46 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 71' ' ' LEU . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 66' ' ' LEU . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 68' ' ' TYR . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 90' ' ' VAL . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HD3' HG11 ' A' ' 81' ' ' VAL . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 23' ' ' LEU . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 2.8 t-20 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 71' ' ' LEU . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 21' ' ' GLY . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 90' ' ' VAL . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 123.89 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.05 -60.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 78.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p 59.18 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.69 144.11 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.65 142.67 60.26 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.565 2.176 . . . . 0.0 112.251 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -90.23 124.19 34.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 -55.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.454 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.831 0.348 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 90' ' ' VAL . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 90' ' ' VAL . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.737 HD12 HG13 ' A' ' 81' ' ' VAL . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.403 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.82 0.343 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 69' ' ' GLN . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.737 HG13 HD12 ' A' ' 24' ' ' LEU . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.777 HG22 HD12 ' A' ' 23' ' ' LEU . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.849 0.357 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.796 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 91' ' ' ASN . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.502 ' OD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 33' ' ' GLN . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.4 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 33' ' ' GLN . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.767 0.318 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 52' ' ' VAL . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.756 HD13 HG21 ' A' ' 92' ' ' VAL . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 79' ' ' VAL . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.796 HG22 ' CD1' ' A' ' 23' ' ' LEU . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 24' ' ' LEU . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.756 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' HD22 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.777 0.322 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 90' ' ' VAL . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.631 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.882 0.372 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 71' ' ' LEU . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 66' ' ' LEU . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HB2' HG11 ' A' ' 92' ' ' VAL . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 23' ' ' LEU . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 HD22 ' A' ' 71' ' ' LEU . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.541 ' HA ' HD12 ' A' ' 99' ' ' LEU . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 96' ' ' ILE . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.852 0.358 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 103' ' ' PHE . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.523 HG12 HG13 ' A' ' 90' ' ' VAL . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 90' ' ' VAL . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 33' ' ' GLN . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.584 ' OE1' HD22 ' A' ' 29' ' ' LEU . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 44' ' ' THR . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' PRO . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.806 0.336 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 71' ' ' LEU . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 72' ' ' LEU . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 68' ' ' TYR . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 68' ' ' TYR . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.559 ' CE ' HD11 ' A' ' 84' ' ' LEU . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 82' ' ' MET . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 95' ' ' LEU . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 94' ' ' LEU . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 91' ' ' ASN . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 90' ' ' VAL . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 22' ' ' VAL . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 10' ' ' LEU . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 103' ' ' PHE . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.837 HD23 ' CE2' ' A' ' 34' ' ' PHE . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 81' ' ' VAL . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 28' ' ' ASP . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.837 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 53' ' ' LYS . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' VAL . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.806 0.336 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 71' ' ' LEU . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' HD1' ' A' ' 68' ' ' TYR . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 68' ' ' TYR . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 92' ' ' VAL . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 24' ' ' LEU . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD12 ' A' ' 23' ' ' LEU . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.414 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 90' ' ' VAL . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 68' ' ' TYR . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' A' ' 10' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.87 0.366 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 103' ' ' PHE . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.955 HD12 HG22 ' A' ' 90' ' ' VAL . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.429 HD12 HG13 ' A' ' 81' ' ' VAL . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.759 0.314 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 71' ' ' LEU . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 HD21 ' A' ' 66' ' ' LEU . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 92' ' ' VAL . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 81' ' ' VAL . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.955 HG22 HD12 ' A' ' 23' ' ' LEU . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.655 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 90' ' ' VAL . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.462 HG22 ' ND2' ' A' ' 100' ' ' ASN . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' HG22 ' A' ' 96' ' ' ILE . 1.5 m-80 -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.844 0.354 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' ALA . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 90' ' ' VAL . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 90' ' ' VAL . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 81' ' ' VAL . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 33' ' ' GLN . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 29' ' ' LEU . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.815 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 81' ' ' VAL . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HD12 ' A' ' 24' ' ' LEU . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' ILE . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 23' ' ' LEU . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 21' ' ' GLY . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.766 0.317 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 38' ' ' ILE . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.62 HG12 HG13 ' A' ' 90' ' ' VAL . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.686 HD23 ' CE2' ' A' ' 34' ' ' PHE . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' HG13 ' A' ' 81' ' ' VAL . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 26' ' ' ILE . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 33' ' ' GLN . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.541 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 11' ' ' LYS . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 72' ' ' LEU . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' GLN . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 92' ' ' VAL . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.61 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 90' ' ' VAL . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.62 HG13 HG12 ' A' ' 22' ' ' VAL . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.469 ' N ' HG12 ' A' ' 90' ' ' VAL . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 74' ' ' LEU . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 100' ' ' ASN . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.406 HD22 HG22 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.887 0.375 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 103' ' ' PHE . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' ALA . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 90' ' ' VAL . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 90' ' ' VAL . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 81' ' ' VAL . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.607 HD11 HD21 ' A' ' 23' ' ' LEU . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.1 mt-30 -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.832 0.348 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 92' ' ' VAL . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.766 HG13 HD12 ' A' ' 24' ' ' LEU . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.663 ' HD3' HG11 ' A' ' 81' ' ' VAL . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.942 HG11 HD13 ' A' ' 95' ' ' LEU . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.454 HD22 HD12 ' A' ' 94' ' ' LEU . 63.5 t30 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 74' ' ' LEU . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 91' ' ' ASN . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.942 HD13 HG11 ' A' ' 90' ' ' VAL . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 10' ' ' LEU . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.869 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.493 HG12 ' CG1' ' A' ' 90' ' ' VAL . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.78 HD12 HG13 ' A' ' 81' ' ' VAL . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.662 HD11 ' HG3' ' A' ' 11' ' ' LYS . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.602 HG21 ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.769 0.319 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 HD23 ' A' ' 95' ' ' LEU . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 92' ' ' VAL . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.78 HG13 HD12 ' A' ' 24' ' ' LEU . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.44 ' N ' HG12 ' A' ' 90' ' ' VAL . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 74' ' ' LEU . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 94' ' ' LEU . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 HD22 ' A' ' 71' ' ' LEU . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.835 0.35 . . . . 0.0 110.83 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' CG ' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 90' ' ' VAL . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 91' ' ' ASN . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 38' ' ' ILE . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 ' CG ' ' A' ' 11' ' ' LYS . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 53' ' ' LYS . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' N ' HG12 ' A' ' 52' ' ' VAL . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.791 0.329 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' CE ' ' A' ' 82' ' ' MET . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.678 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 68' ' ' TYR . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 92' ' ' VAL . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.535 ' CE ' HD11 ' A' ' 66' ' ' LEU . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 84' ' ' LEU . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.496 ' CG1' HG12 ' A' ' 22' ' ' VAL . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 74' ' ' LEU . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.87 0.367 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.705 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.699 HD12 ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 37' ' ' VAL . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.538 ' CG2' HD12 ' A' ' 29' ' ' LEU . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 38' ' ' ILE . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.588 HG12 ' HZ ' ' A' ' 85' ' ' PHE . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.792 0.329 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.45 ' HB2' HG22 ' A' ' 92' ' ' VAL . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.54 HD12 ' CG2' ' A' ' 90' ' ' VAL . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 52' ' ' VAL . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' A' ' 24' ' ' LEU . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.705 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 82' ' ' MET . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.838 0.352 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 HG13 ' A' ' 81' ' ' VAL . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.491 HD13 HG12 ' A' ' 96' ' ' ILE . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 24' ' ' LEU . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 90' ' ' VAL . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 71' ' ' LEU . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.797 0.332 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.707 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 90' ' ' VAL . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 HG13 ' A' ' 81' ' ' VAL . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 38' ' ' ILE . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.852 0.358 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.467 ' HE1' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 96' ' ' ILE . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE1' ' A' ' 68' ' ' TYR . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' VAL . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 79' ' ' VAL . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.524 HD12 ' CG2' ' A' ' 90' ' ' VAL . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.776 HG22 HD12 ' A' ' 23' ' ' LEU . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.458 ' N ' HG12 ' A' ' 90' ' ' VAL . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 21' ' ' GLY . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HG11 ' A' ' 90' ' ' VAL . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.452 HG12 HD13 ' A' ' 71' ' ' LEU . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.821 HD12 HG22 ' A' ' 90' ' ' VAL . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' OD1' ' A' ' 28' ' ' ASP . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.504 ' OD1' HG22 ' A' ' 26' ' ' ILE . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 33' ' ' GLN . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 29' ' ' LEU . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.77 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HD1' ' HB2' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB2' ' HD1' ' A' ' 39' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.816 0.341 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.524 ' HB2' HG22 ' A' ' 92' ' ' VAL . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 84' ' ' LEU . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.821 HG22 HD12 ' A' ' 23' ' ' LEU . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' VAL . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 82' ' ' MET . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 90' ' ' VAL . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 102' ' ' LYS . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 98' ' ' LEU . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' HD11 ' A' ' 38' ' ' ILE . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 90' ' ' VAL . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 34' ' ' PHE . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 81' ' ' VAL . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 37' ' ' VAL . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.753 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 29' ' ' LEU . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 11' ' ' LYS . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 71' ' ' LEU . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 66' ' ' LEU . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 81' ' ' VAL . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 24' ' ' LEU . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 90' ' ' VAL . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 95' ' ' LEU . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' VAL . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 96' ' ' ILE . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 90' ' ' VAL . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 92' ' ' VAL . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 12' ' ' TYR . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 38' ' ' ILE . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.43 ' HE2' HD22 ' A' ' 10' ' ' LEU . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.705 HD23 ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 81' ' ' VAL . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.705 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 11' ' ' LYS . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 47' ' ' VAL . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.804 0.335 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 71' ' ' LEU . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 HD23 ' A' ' 95' ' ' LEU . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.653 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.64 HG22 HD13 ' A' ' 24' ' ' LEU . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HD2' HG11 ' A' ' 81' ' ' VAL . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.785 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 74' ' ' LEU . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 71' ' ' LEU . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.852 0.358 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.768 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 81' ' ' VAL . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CA ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 33' ' ' GLN . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.827 0.346 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 52' ' ' VAL . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 72' ' ' LEU . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 68' ' ' TYR . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 92' ' ' VAL . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 24' ' ' LEU . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.415 ' CE ' HD11 ' A' ' 66' ' ' LEU . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.768 HG22 ' CD1' ' A' ' 23' ' ' LEU . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HD12 ' A' ' 94' ' ' LEU . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.403 HD12 HD22 ' A' ' 91' ' ' ASN . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 90' ' ' VAL . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.49 HG23 ' CE1' ' A' ' 68' ' ' TYR . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.832 0.349 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 98' ' ' LEU . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.621 ' CD1' HG22 ' A' ' 90' ' ' VAL . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 91' ' ' ASN . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.5 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.515 HD11 ' HD3' ' A' ' 11' ' ' LYS . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 81' ' ' VAL . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 79' ' ' VAL . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 92' ' ' VAL . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 84' ' ' LEU . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 23' ' ' LEU . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 24' ' ' LEU . 61.4 t30 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 91' ' ' ASN . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 22' ' ' VAL . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' ILE . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 38' ' ' ILE . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 37' ' ' VAL . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.499 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.646 HD12 HG22 ' A' ' 90' ' ' VAL . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 23' ' ' LEU . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 29' ' ' LEU . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 13' ' ' THR . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.753 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 51' ' ' GLU . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.838 0.351 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 71' ' ' LEU . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 66' ' ' LEU . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 68' ' ' TYR . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 90' ' ' VAL . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HD3' HG11 ' A' ' 81' ' ' VAL . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 23' ' ' LEU . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 17.6 t30 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 71' ' ' LEU . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 21' ' ' GLY . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 90' ' ' VAL . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.263 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -106.57 -62.0 1.45 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.759 0.314 . . . . 0.0 110.934 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.9 84.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.64 122.83 1.22 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.521 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -67.97 103.4 1.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.798 0.332 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -116.47 157.29 25.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.58 -131.35 10.35 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.543 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.5 mt 63.69 143.14 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.789 0.328 . . . . 0.0 111.134 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.7 p -91.24 132.67 35.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.32 137.24 57.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.94 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.14 112.61 19.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -131.2 143.55 50.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.851 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -82.14 154.92 25.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.022 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.57 84.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.3 -36.12 79.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.139 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt-85 -60.99 -52.57 64.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mt -64.32 -31.15 72.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -72.32 -41.79 66.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -63.53 -45.47 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.2 mttp -63.34 -35.59 80.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.98 -19.77 7.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.65 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.609 HG12 HG13 ' A' ' 90' ' ' VAL . 23.7 t -54.58 -67.04 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.783 0.325 . . . . 0.0 111.269 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.777 HD12 HG22 ' A' ' 90' ' ' VAL . 15.9 tp -71.88 125.27 26.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.857 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.737 HD12 HG13 ' A' ' 81' ' ' VAL . 44.8 mt -83.94 -67.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.994 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -159.95 177.69 10.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.95 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.403 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 38.9 mt -136.07 117.6 19.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.114 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -72.53 68.12 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -179.34 -44.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.4 mt -117.4 169.07 9.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -99.02 176.49 5.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.821 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.84 -51.15 73.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.272 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -62.61 -22.83 66.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.225 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -75.1 -21.12 59.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.327 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.577 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.4 m-85 -52.51 -27.9 18.33 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -59.99 -30.68 69.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.3 p30 -98.65 34.92 1.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -143.09 123.91 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.047 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 HG23 ' HB3' ' A' ' 55' ' ' LYS . 3.9 tt -127.59 138.97 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -109.32 131.26 55.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.85 103.89 13.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.9 mp -97.91 105.27 17.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.4 129.74 50.16 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.42 177.57 7.76 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.441 2.094 . . . . 0.0 112.32 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.2 p -134.15 161.75 34.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -72.31 -32.76 66.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -91.66 170.69 9.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.565 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -106.58 113.79 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.37 -41.55 1.35 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.447 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -94.56 145.14 25.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -142.42 151.39 41.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -102.37 120.43 40.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.6 t -115.02 105.99 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.047 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -122.18 142.36 50.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.838 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.69 107.18 16.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.083 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.423 ' HB3' HG23 ' A' ' 38' ' ' ILE . 5.1 tttt -59.95 119.58 8.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.964 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -156.98 -56.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.1 mtt -114.88 -37.86 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 105.32 74.47 0.95 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 59' ' ' VAL . 16.9 m -91.73 99.65 10.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.812 0.339 . . . . 0.0 111.22 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -98.93 29.9 3.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.7 mtt -109.72 -31.82 7.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.7 169.98 20.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.89 140.31 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 24.7 t80 -69.15 124.24 23.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.3 mtp -94.95 157.46 15.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 tp -146.64 109.19 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.94 171.45 15.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -91.06 -32.37 15.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.549 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -66.51 -38.47 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.932 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -60.27 -41.25 92.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.91 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 56.4 mt -63.89 -34.05 77.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 69' ' ' GLN . 6.1 mt -77.92 -32.77 51.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.68 -33.04 72.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.09 -32.9 63.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -69.35 -31.52 70.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.83 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -77.22 -37.56 53.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -76.24 -45.18 34.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 134.44 -20.62 3.92 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.622 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.82 99.12 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.871 0.367 . . . . 0.0 111.252 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -83.64 -30.92 26.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.082 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.737 HG13 HD12 ' A' ' 24' ' ' LEU . 23.4 t -96.64 138.96 20.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 39.2 ttp -114.36 122.76 47.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.6 tppt? -85.58 106.12 16.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.5 mt -99.13 123.76 43.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 58.02 26.51 13.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.3 t70 55.26 30.32 14.45 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 67.3 mtt-85 -148.07 -75.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.77 147.28 43.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.16 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 11.8 mtmm -129.02 130.86 47.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.777 HG22 HD12 ' A' ' 23' ' ' LEU . 30.2 t -129.55 147.62 33.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.416 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.7 t-20 -79.68 122.12 26.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.787 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.3 -28.21 34.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.287 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -71.29 -29.99 65.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 41.5 mt -102.0 -29.26 11.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.072 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 47.6 tp -57.86 -43.51 85.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.995 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.8 mt -74.41 -31.66 28.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -63.66 -45.93 87.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.96 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -63.28 -51.38 66.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.965 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.81 -29.84 69.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.3 -27.11 67.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.101 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -110.04 -27.89 8.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.108 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.4 mmtt -72.17 -78.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.139 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -76.86 -46.21 25.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.171 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.4 97.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 172.91 73.96 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.465 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -72.78 -177.32 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 m -143.92 31.2 1.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.928 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -118.17 -176.62 16.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.445 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.24 148.34 61.73 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.544 2.163 . . . . 0.0 112.316 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 5.7 t -103.92 -61.88 1.38 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.31 31.5 20.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.427 -1.207 . . . . 0.0 112.504 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.206 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.04 159.99 43.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.872 0.368 . . . . 0.0 110.85 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -71.87 -32.92 67.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.963 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.97 -154.34 30.41 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.55 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.9 m -138.73 165.28 27.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.811 0.339 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.9 m -78.26 -72.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.27 -126.72 1.23 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.3 pt -143.93 122.3 6.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.796 0.331 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.5 p -176.81 137.65 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.6 mt -111.58 114.57 27.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 mmmm -106.87 112.66 25.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -135.85 112.0 9.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.3 p -62.04 161.56 10.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.72 -39.61 85.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -36.7 82.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.169 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 26.0 mmt-85 -60.25 -53.81 53.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.89 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -65.82 -44.58 85.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -66.29 -38.7 88.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.4 mttt -68.5 -31.6 70.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.93 -20.68 9.82 Favored Glycine 0 CA--C 1.518 0.234 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.623 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.5 t -55.17 -66.64 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 120.779 0.324 . . . . 0.0 111.215 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.796 ' CD1' HG22 ' A' ' 90' ' ' VAL . 18.6 tp -71.99 139.82 48.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.795 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.646 HD21 ' HB2' ' A' ' 91' ' ' ASN . 65.2 mt -100.44 -68.44 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.07 178.41 9.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.42 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 25.2 mt -130.27 145.31 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.039 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -93.57 48.29 1.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.502 ' OD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p-10 179.48 -42.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.0 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.705 HD12 ' HB3' ' A' ' 33' ' ' GLN . 2.6 mm? -96.47 145.05 26.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -85.45 165.47 17.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.37 -37.71 70.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.112 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.85 -26.33 63.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.705 ' HB3' HD12 ' A' ' 29' ' ' LEU . 8.4 mt-30 -75.5 -18.68 59.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.262 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -49.34 -28.41 4.92 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.799 0.333 . . . . 0.0 111.289 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -61.0 -45.69 93.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.02 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.4 p30 -78.03 -28.44 49.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.032 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 33' ' ' GLN . 24.1 t -73.82 135.99 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.6 tt -147.5 149.63 15.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -122.3 112.68 18.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 121.37 30.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.5 mt -114.78 132.72 63.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.134 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -113.39 113.25 48.54 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.899 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -57.76 168.01 3.61 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.109 . . . . 0.0 112.265 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.2 p -121.7 164.07 17.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.815 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -64.28 -44.05 92.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.01 177.16 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.68 139.0 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.07 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 115.83 -47.5 1.03 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.3 151.61 24.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -143.44 135.57 26.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.934 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.17 107.28 18.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.414 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -102.46 147.57 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.094 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.859 ' HD2' HG23 ' A' ' 63' ' ' THR . 21.8 tttt -150.3 142.15 23.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.61 107.99 19.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.099 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.14 102.9 8.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -176.37 -51.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.6 mmm -146.0 87.51 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.18 119.26 4.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.461 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.87 -42.89 5.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -86.84 -177.55 6.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 24.0 mtp -107.24 -48.79 3.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.949 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -72.64 147.55 45.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.859 HG23 ' HD2' ' A' ' 53' ' ' LYS . 1.1 m -85.49 165.7 16.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -82.08 138.24 34.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 2.1 mtt -99.72 141.13 32.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD22 HG21 ' A' ' 52' ' ' VAL . 13.5 tp -126.28 105.62 8.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.85 154.45 27.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -79.86 -30.91 40.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.44 -43.47 90.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -60.03 -33.54 72.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.942 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 79.7 mt -68.88 -50.44 49.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.23 -27.51 67.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.992 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -58.16 -32.89 68.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.756 HD13 HG21 ' A' ' 92' ' ' VAL . 3.8 mt -75.21 -36.25 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.878 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -65.81 -36.55 83.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.833 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -76.54 -40.58 49.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.895 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -71.08 -31.26 67.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 118.18 -25.08 8.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.621 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -58.19 108.27 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.868 0.366 . . . . 0.0 111.154 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.23 -31.64 20.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.06 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.419 ' O ' HG12 ' A' ' 79' ' ' VAL . 28.0 t -90.33 139.89 16.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -115.55 147.61 40.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.98 97.46 7.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 mt -95.1 127.29 41.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 58.55 22.6 9.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.212 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 54.47 30.84 13.59 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.003 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -145.79 -75.83 0.21 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.929 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.7 152.27 27.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.339 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -129.25 119.5 24.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.707 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.796 HG22 ' CD1' ' A' ' 23' ' ' LEU . 24.7 t -120.25 153.08 23.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.646 ' HB2' HD21 ' A' ' 24' ' ' LEU . 62.1 t30 -85.1 121.6 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.756 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -70.91 -31.46 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.05 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 21.6 m-20 -58.76 -29.61 66.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 mt -106.91 -29.4 9.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 31.7 tp -56.44 -35.01 67.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.988 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 mt -82.71 -29.31 8.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.258 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -72.8 -40.82 65.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.18 -55.45 34.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.978 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.596 HD22 ' CD1' ' A' ' 103' ' ' PHE . 35.2 mt -62.21 -28.27 69.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.962 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -57.52 -30.11 64.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.035 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.24 -31.08 7.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.002 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.8 mmtm -71.44 -76.06 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.007 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.596 ' CD1' HD22 ' A' ' 99' ' ' LEU . 57.9 m-85 -70.87 -49.87 41.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.962 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.98 98.2 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.911 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -141.65 37.04 1.65 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.539 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 12.3 mtpt -73.7 -37.67 65.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 37.2 m -86.82 114.57 23.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 130.79 -87.83 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.557 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.02 121.47 8.1 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.619 2.213 . . . . 0.0 112.33 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.9 p -72.24 -31.54 65.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.9 m -126.36 112.13 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.541 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.563 -0.215 . . . . 0.0 112.563 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.6 p -68.3 -176.37 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.4 p -79.77 142.79 35.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.25 -76.58 1.26 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.474 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -128.01 -71.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.1 t 60.35 83.31 0.14 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.26 170.47 14.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.454 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.416 HG22 ' N ' ' A' ' 9' ' ' SER . 4.5 mt -127.27 155.0 38.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 0.0 111.089 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.416 ' N ' HG22 ' A' ' 8' ' ' ILE . 60.0 p -154.27 163.33 40.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.14 154.36 20.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.919 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.5 mmtm -132.16 116.3 16.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -147.91 137.84 22.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 5.4 p -95.44 158.78 15.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.934 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.1 91.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.15 -31.04 71.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.43 -46.16 73.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 70.2 mt -69.08 -33.92 74.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 -62.12 -45.44 93.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -65.97 -42.18 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -63.23 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.48 -20.4 15.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.62 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -55.92 -66.73 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.749 0.309 . . . . 0.0 111.244 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.978 HD12 HG22 ' A' ' 90' ' ' VAL . 3.5 tp -71.46 148.11 47.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 ' CD1' HG13 ' A' ' 81' ' ' VAL . 3.5 mt -106.2 -66.75 0.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.952 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -160.02 177.5 10.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.817 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.631 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.6 mt -134.94 115.27 18.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -74.66 68.49 1.67 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -176.98 -55.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.68 -178.14 3.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -111.4 173.73 6.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.1 t -58.14 -29.35 36.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.262 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -72.01 -28.45 63.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.073 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -81.22 -18.71 45.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.331 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.1 m-85 -50.14 -28.62 7.64 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.809 0.338 . . . . 0.0 111.258 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -30.29 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.986 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -98.27 33.84 2.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -140.51 101.09 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.563 HG23 ' CB ' ' A' ' 55' ' ' LYS . 16.1 tt -109.27 142.05 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.235 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -106.97 118.85 37.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.821 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.42 110.05 22.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.0 mt -104.89 112.81 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -88.1 128.45 53.65 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -74.16 151.59 44.17 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.431 2.088 . . . . 0.0 112.346 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -116.84 148.76 40.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.7 -43.01 94.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.69 167.92 20.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.1 138.48 40.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.083 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.58 -29.36 9.55 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.552 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -105.9 140.94 38.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.35 . . . . 0.0 110.853 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -128.2 151.9 48.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -108.54 103.5 12.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -100.31 127.59 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.424 ' HB2' HG22 ' A' ' 63' ' ' THR . 17.1 ttpt -136.84 156.19 48.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.957 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -106.24 101.61 11.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.134 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.563 ' CB ' HG23 ' A' ' 38' ' ' ILE . 0.0 OUTLIER -60.01 116.93 4.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.17 -55.81 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.3 mmt -138.83 -49.64 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.67 59.11 4.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.517 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.487 HG23 ' HG2' ' A' ' 60' ' ' GLN . 8.9 m -97.57 -34.48 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 111.147 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' HG2' HG23 ' A' ' 59' ' ' VAL . 7.5 mm-40 -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.944 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ttt -98.48 31.71 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.78 87.91 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.954 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.424 HG22 ' HB2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -98.2 137.56 36.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -75.88 124.02 26.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.4 mtt -95.89 152.42 18.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.962 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.648 HD21 HD11 ' A' ' 71' ' ' LEU . 10.6 tp -139.4 133.85 31.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -105.36 151.15 24.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -69.07 -34.94 75.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.44 -39.16 85.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -60.1 -36.64 77.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.893 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.648 HD11 HD21 ' A' ' 66' ' ' LEU . 63.7 mt -69.51 -44.82 70.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.4 mt -66.94 -29.96 69.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.1 tp60 -60.16 -33.09 71.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.509 ' HB2' HG11 ' A' ' 92' ' ' VAL . 12.2 mt -82.02 -32.16 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -75.62 -30.85 59.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -83.03 -39.04 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -68.28 -61.4 1.86 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 144.25 45.06 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -130.5 119.68 46.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.86 0.362 . . . . 0.0 111.087 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.43 -32.14 12.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.587 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.5 t -92.15 135.5 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.151 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.2 ttp -120.85 139.81 52.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.43 106.09 18.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.1 mt -111.53 134.47 53.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.831 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 59.53 22.74 11.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.4 25.87 4.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 111.246 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 19.2 mtt180 -154.33 -70.36 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.934 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.7 142.77 57.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.4 mttt -122.34 147.99 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.807 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.978 HG22 HD12 ' A' ' 23' ' ' LEU . 19.7 t -143.53 152.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -83.21 116.07 22.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.9 t -63.4 -30.77 50.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.1 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -65.9 -43.12 89.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.964 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 84.2 mt -88.51 -27.15 21.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.101 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 HD23 HD22 ' A' ' 71' ' ' LEU . 32.1 tp -56.8 -46.96 81.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.019 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.541 ' HA ' HD12 ' A' ' 99' ' ' LEU . 13.8 mt -69.64 -34.06 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -61.86 -36.47 81.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.1 tp -69.63 -44.55 70.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.042 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.541 HD12 ' HA ' ' A' ' 96' ' ' ILE . 2.1 mt -69.99 -33.39 71.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.997 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -59.3 -23.87 62.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -111.48 -25.81 9.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.22 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm -78.54 -78.98 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.183 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -72.81 -43.3 62.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.202 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.12 119.46 5.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.009 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -169.74 -74.56 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.418 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 59.33 31.43 21.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.837 0.351 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 33.1 t -113.78 -68.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.34 96.48 0.65 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -50.23 -44.47 38.32 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.608 2.205 . . . . 0.0 112.382 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 6.0 m 59.63 161.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.4 m -163.79 98.68 0.87 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.335 -1.258 . . . . 0.0 112.533 179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.429 -0.269 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -161.21 36.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -138.18 80.67 1.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.54 127.6 26.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.546 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.9 p -116.32 32.73 5.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 p -75.26 78.85 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 97.87 -135.2 12.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.7 pt -138.72 159.22 30.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.133 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.9 p -138.87 170.3 16.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' A' ' 103' ' ' PHE . 11.6 mt -90.41 157.93 17.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.845 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -144.67 107.84 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.886 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -143.14 124.55 14.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 50.2 p -68.96 164.16 22.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -34.21 71.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 -41.91 75.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.2 mmt-85 -60.19 -33.89 72.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mt -79.98 -31.46 39.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -71.07 -33.9 70.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -68.49 -33.88 74.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.8 mttt -79.87 -30.15 40.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.006 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 116.87 -16.39 13.55 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.704 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.523 HG12 HG13 ' A' ' 90' ' ' VAL . 21.3 t -54.84 -67.12 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.786 0.326 . . . . 0.0 111.282 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 HD12 HG22 ' A' ' 90' ' ' VAL . 11.2 tp -72.19 125.6 27.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.4 mt -86.47 -69.94 0.64 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -155.81 -179.96 8.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 HD12 ' CE1' ' A' ' 34' ' ' PHE . 32.3 mt -136.34 122.27 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -77.53 62.75 2.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.967 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -177.9 -58.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.584 HD22 ' OE1' ' A' ' 33' ' ' GLN . 15.5 mt -101.85 179.96 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.011 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -110.69 -178.8 3.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.942 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.75 -30.26 49.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.16 -28.01 62.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.028 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.584 ' OE1' HD22 ' A' ' 29' ' ' LEU . 29.4 mt-30 -77.82 -19.5 54.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.274 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -49.39 -27.97 4.62 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.761 0.315 . . . . 0.0 111.223 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -67.01 -29.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.8 p30 -97.83 39.45 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.841 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.63 109.95 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.845 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.3 tt -109.45 145.86 15.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.181 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -112.76 133.23 54.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -113.77 100.94 8.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.8 mt -108.29 102.69 14.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.6 m -88.19 133.13 37.57 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.838 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 44' ' ' THR . 73.9 Cg_endo -75.53 -168.31 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.483 2.122 . . . . 0.0 112.366 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 43' ' ' PRO . 1.4 p -157.05 169.4 24.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.08 -57.83 4.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -67.82 127.68 33.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -73.27 153.49 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.037 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.71 -29.41 10.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -106.15 131.54 53.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.847 0.356 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.75 155.18 46.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -107.08 116.05 31.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.35 130.96 57.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.106 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.599 ' HD3' HG22 ' A' ' 63' ' ' THR . 8.8 ttpp -142.65 161.47 37.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -126.74 101.1 6.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.091 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -70.38 110.21 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -155.55 -46.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.91 -57.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 103.1 81.49 1.54 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 9.3 m -136.68 31.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.825 0.345 . . . . 0.0 111.056 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -117.92 -177.31 3.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 43.4 ttm -119.42 125.53 49.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 60.36 172.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.599 HG22 ' HD3' ' A' ' 53' ' ' LYS . 0.5 OUTLIER -97.14 126.87 42.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -73.05 107.97 5.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 mtt -90.09 140.2 29.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.451 HD21 HD21 ' A' ' 71' ' ' LEU . 50.6 tp -97.07 143.22 28.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -107.42 149.78 27.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.55 ' CE2' HD11 ' A' ' 72' ' ' LEU . 5.4 t80 -80.29 -30.82 38.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -46.95 87.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.43 -37.12 84.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 68' ' ' TYR . 55.4 mt -64.43 -44.8 90.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.55 HD11 ' CE2' ' A' ' 68' ' ' TYR . 8.9 mt -73.21 -36.7 66.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.25 -32.31 71.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 19.5 mt -73.03 -43.2 62.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.27 -31.79 72.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -74.26 -35.18 63.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -78.87 -65.74 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.28 44.89 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.451 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 t -118.58 116.69 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.833 0.349 . . . . 0.0 111.06 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -96.1 -31.04 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.093 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.22 136.75 24.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.113 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.559 ' CE ' HD11 ' A' ' 84' ' ' LEU . 4.5 ttp -118.43 113.18 20.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tpmt? -74.41 103.27 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.559 HD11 ' CE ' ' A' ' 82' ' ' MET . 9.1 mt -111.68 130.93 55.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 59.09 21.84 9.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.194 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 53.43 29.77 9.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.176 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -156.75 -55.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -73.13 124.23 25.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.157 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -110.83 112.7 24.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.743 HG11 HD13 ' A' ' 95' ' ' LEU . 14.3 t -110.11 155.8 11.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.144 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' ND2' HD12 ' A' ' 94' ' ' LEU . 9.1 t30 -89.17 120.2 30.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.769 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.9 t -68.8 -22.87 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.311 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -79.26 -34.57 42.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.16 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.422 HD12 ' ND2' ' A' ' 91' ' ' ASN . 4.7 mt -96.22 -30.0 13.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.194 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.743 HD13 HG11 ' A' ' 90' ' ' VAL . 30.3 tp -58.67 -46.24 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.931 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.61 -36.12 73.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.064 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -58.57 -48.36 81.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.453 HD22 HG21 ' A' ' 22' ' ' VAL . 3.9 tp -65.0 -47.66 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.965 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 41.7 mt -63.19 -29.8 71.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.078 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -58.71 -25.67 63.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.307 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.53 -26.49 8.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.27 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt -73.88 -75.84 0.14 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.204 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' A' ' 10' ' ' LEU . 69.3 m-85 -79.13 -46.99 16.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.267 -179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.96 125.95 22.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.066 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -170.07 -90.15 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.424 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.9 mtpt 64.55 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.2 m 61.49 36.13 17.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.95 -167.71 38.22 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.72 -169.53 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.534 2.156 . . . . 0.0 112.356 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.08 -45.45 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.8 t -161.68 163.26 29.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.429 -1.206 . . . . 0.0 112.498 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -122.77 123.25 40.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.794 0.33 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.1 t -93.16 90.97 7.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.82 107.69 2.48 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.478 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.64 ' HB3' HD11 ' A' ' 8' ' ' ILE . 1.9 m -81.56 127.13 32.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -95.06 143.7 26.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.65 32.64 9.1 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.64 HD11 ' HB3' ' A' ' 5' ' ' SER . 26.5 mm -92.74 158.8 2.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.794 0.33 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.486 ' N ' HG22 ' A' ' 8' ' ' ILE . 2.1 m 60.79 157.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.439 HD12 ' CE1' ' A' ' 103' ' ' PHE . 12.1 mt -108.58 146.55 33.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 mmmt -129.65 118.72 22.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -150.87 127.84 11.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.2 p -76.21 163.01 27.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 34' ' ' PHE . . . -61.16 -34.89 75.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -33.35 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.071 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -68.63 -60.23 2.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.928 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 22.6 mt -60.11 -31.25 69.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.5 t-80 -70.85 -45.97 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -63.88 -46.03 86.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -60.25 -32.72 71.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.51 -20.17 8.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.704 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.23 -67.01 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.841 0.353 . . . . 0.0 111.255 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.837 HD23 ' CE2' ' A' ' 34' ' ' PHE . 10.4 tp -69.16 137.9 53.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.831 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD12 HG13 ' A' ' 81' ' ' VAL . 77.2 mt -98.66 -72.51 0.65 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -157.79 -179.9 8.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.1 mt -139.87 134.33 37.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.046 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -86.81 54.78 3.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.451 ' C ' HD22 ' A' ' 29' ' ' LEU . 0.6 OUTLIER -179.1 -40.92 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.451 HD22 ' C ' ' A' ' 28' ' ' ASP . 3.8 mm? -108.78 146.08 34.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -92.65 166.39 12.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -56.81 -28.79 28.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -73.6 -28.48 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.047 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 37' ' ' VAL . 11.7 mt-30 -81.47 -16.58 51.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.362 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.837 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -50.82 -30.39 14.19 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.218 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 mmmt -64.67 -31.3 72.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.803 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 25.0 p30 -99.95 29.76 4.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.4 t -130.46 100.09 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.039 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -98.97 132.39 44.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.036 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -107.61 101.74 11.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -84.65 119.68 25.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.4 mt -115.8 107.77 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.81 118.19 68.75 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.71 176.77 7.02 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.428 2.086 . . . . 0.0 112.275 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.7 p -130.91 170.95 13.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.885 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -74.36 -31.45 62.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.822 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.4 167.07 11.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.845 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.11 132.47 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 117.61 -40.79 2.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.519 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -94.84 126.45 40.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 110.955 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -124.42 155.05 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.9 102.79 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 53' ' ' LYS . 21.5 t -90.67 156.12 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' N ' HG12 ' A' ' 52' ' ' VAL . 27.2 tptp -150.92 142.73 23.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.52 100.93 4.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.045 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.86 176.64 9.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.947 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -107.55 -56.68 2.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.856 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.0 ttt -82.53 -67.53 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 159.19 55.89 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.514 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' HG23 ' A' ' 59' ' ' VAL . 10.8 m -86.57 89.46 2.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.808 0.337 . . . . 0.0 111.206 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 83.2 7.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.5 mtp -118.42 -47.12 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -143.03 123.07 13.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.825 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.17 143.63 32.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -78.48 152.62 31.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.91 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 84.6 mtp -114.11 113.27 24.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.5 tp -98.99 107.85 20.38 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -74.9 125.03 27.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.924 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' HD1' HD12 ' A' ' 71' ' ' LEU . 21.8 t80 -61.07 -30.1 70.13 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -58.96 -44.08 91.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -60.41 -38.97 85.7 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.418 HD12 ' HD1' ' A' ' 68' ' ' TYR . 85.0 mt -62.27 -38.82 90.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.414 HD11 ' CE2' ' A' ' 68' ' ' TYR . 95.6 mt -81.17 -34.69 32.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.52 -32.14 73.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.767 HD13 HG21 ' A' ' 92' ' ' VAL . 79.1 mt -68.38 -37.62 80.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -70.17 -32.79 70.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -70.4 -36.4 74.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -79.73 -53.12 7.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.62 54.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.558 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 t -123.2 128.08 74.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.64 -32.45 9.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.684 HG13 HD12 ' A' ' 24' ' ' LEU . 21.5 t -101.66 142.5 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 2.8 ttt -120.66 150.66 40.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.53 98.84 8.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.3 mt -105.24 127.97 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 60.42 22.63 12.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.015 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 t0 53.99 29.87 10.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.135 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 4.8 mtt180 -155.46 -65.11 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.83 121.47 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -107.27 118.1 35.83 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.802 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.565 HG22 HD12 ' A' ' 23' ' ' LEU . 19.9 t -113.93 154.79 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.219 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.414 ' N ' HG12 ' A' ' 90' ' ' VAL . 53.2 t30 -91.52 112.72 24.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.767 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -63.98 -26.41 40.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.258 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -67.41 -29.64 69.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.174 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.2 -26.8 10.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.123 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.534 HD13 HG11 ' A' ' 90' ' ' VAL . 26.3 tp -56.48 -35.58 68.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.069 -179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.415 HG23 ' HE1' ' A' ' 68' ' ' TYR . 22.3 mt -81.03 -29.7 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -64.83 -50.25 67.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.1 tp -59.05 -39.95 83.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.2 mt -75.84 -25.53 56.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.107 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.65 -26.94 57.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.238 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.23 -33.52 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.122 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -63.77 -72.12 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.081 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.439 ' CE1' HD12 ' A' ' 10' ' ' LEU . 43.7 m-85 -82.09 -45.49 15.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.164 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -56.35 120.4 7.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.049 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 153.06 -45.23 0.59 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.464 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt 63.57 -77.41 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.738 0.304 . . . . 0.0 111.029 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.7 t 65.64 32.35 9.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -138.79 -99.85 0.48 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.86 155.46 14.41 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.476 2.118 . . . . 0.0 112.234 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 96.7 p -130.79 138.37 49.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.945 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.65 120.37 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.336 -1.258 . . . . 0.0 112.462 -179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.558 -0.217 . . . . 0.0 112.558 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.4 t -137.26 -51.24 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.841 0.353 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.4 t -155.82 103.77 2.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.39 -174.39 43.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -132.25 -46.76 0.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.1 p -100.84 91.55 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 -117.82 0.41 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.528 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 pp -60.26 120.96 6.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.173 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 m 60.84 161.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.929 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD12 ' CE1' ' A' ' 103' ' ' PHE . 14.1 mt -101.42 126.71 48.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -105.2 106.68 17.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -138.06 137.22 37.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.0 p -92.53 164.41 13.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.75 68.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.32 -46.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -62.8 -53.84 48.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.64 -31.31 69.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -73.84 -39.17 64.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.55 -31.51 62.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.846 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttm -73.03 -31.13 64.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 121.0 -22.87 7.91 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.63 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.777 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.6 t -56.61 -66.79 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 120.753 0.311 . . . . 0.0 111.152 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.955 HD12 HG22 ' A' ' 90' ' ' VAL . 9.6 tp -69.3 139.22 54.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.429 HD12 HG13 ' A' ' 81' ' ' VAL . 33.4 mt -101.87 -66.53 0.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -159.9 170.82 20.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 HD12 ' CE1' ' A' ' 34' ' ' PHE . 35.3 mt -128.84 127.46 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -82.24 62.16 5.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -173.9 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 35.1 mt -104.82 177.96 4.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.973 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -104.78 169.89 8.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 20.0 t -57.81 -30.1 36.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.263 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -71.09 -28.51 64.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.957 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -82.34 -11.29 58.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.453 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.523 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.3 m-85 -52.33 -29.93 26.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.853 0.358 . . . . 0.0 111.208 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -68.54 -31.01 69.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 47.4 m-20 -72.72 -41.32 65.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.54 141.28 16.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.109 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.484 HG23 ' HB2' ' A' ' 55' ' ' LYS . 17.9 tt -132.72 136.7 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -109.08 125.6 52.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -115.47 107.28 14.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.925 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.0 mt -102.6 115.26 44.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.015 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.1 m -97.88 122.03 55.93 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -73.05 135.2 22.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.457 2.105 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.1 p -85.21 176.47 8.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -80.32 -31.53 38.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -90.36 -179.09 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.9 p -111.81 153.83 13.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.86 -49.66 1.99 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.488 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.62 139.14 30.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.855 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -127.02 150.24 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -108.65 109.67 20.92 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.75 131.26 63.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -124.17 149.14 46.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -116.83 118.45 32.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' HB2' HG23 ' A' ' 38' ' ' ILE . 11.7 mmtt -73.03 103.12 3.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -176.4 -65.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.18 68.15 1.4 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -115.91 30.23 6.7 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.14 -31.02 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.12 32.66 3.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 13.3 ttt -131.91 156.21 46.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.23 169.09 11.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.801 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.17 126.79 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -62.56 128.8 37.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.3 ttt -100.21 105.27 16.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.49 HD21 HD11 ' A' ' 71' ' ' LEU . 51.5 tp -83.4 119.46 24.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.777 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -86.23 157.27 20.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -84.3 -43.18 15.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -60.11 -41.13 91.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.21 -37.18 79.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.49 HD11 HD21 ' A' ' 66' ' ' LEU . 33.4 mt -67.33 -51.5 51.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.5 mt -63.47 -30.84 71.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.946 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -31.76 69.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.655 HD13 HG21 ' A' ' 92' ' ' VAL . 8.4 mt -71.9 -45.66 60.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -60.4 -34.53 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -68.58 -47.92 65.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.852 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -70.31 -41.1 73.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 119.35 38.7 0.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.459 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.537 HG12 ' O ' ' A' ' 81' ' ' VAL . 27.1 t -118.59 86.98 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.836 0.351 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.65 -30.62 69.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.4 t -88.86 134.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 37.1 ttp -118.13 152.27 35.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.93 110.39 22.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 52.8 mt -107.37 118.68 37.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 61.07 24.93 15.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.008 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.7 t0 55.69 34.16 22.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.4 mtt180 -152.34 -76.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.66 131.26 45.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -119.09 129.12 54.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.805 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.955 HG22 HD12 ' A' ' 23' ' ' LEU . 26.6 t -122.68 155.34 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.429 ' N ' HG12 ' A' ' 90' ' ' VAL . 56.2 t30 -85.28 119.39 25.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.853 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.655 HG21 HD13 ' A' ' 74' ' ' LEU . 26.3 t -68.68 -30.94 48.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.123 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -63.37 -30.42 71.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.8 mt -105.17 -28.69 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 90' ' ' VAL . 51.9 tp -57.9 -39.73 78.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.005 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.462 HG22 ' ND2' ' A' ' 100' ' ' ASN . 32.3 mt -77.31 -30.75 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -65.99 -46.72 76.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.2 tp -60.15 -53.41 58.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.41 HD22 ' CD1' ' A' ' 103' ' ' PHE . 97.5 mt -61.13 -32.61 72.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.462 ' ND2' HG22 ' A' ' 96' ' ' ILE . 1.5 m-80 -58.88 -24.28 62.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -112.16 -25.12 9.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.235 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -83.67 -76.67 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.272 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.41 ' CD1' HD22 ' A' ' 99' ' ' LEU . 25.2 m-85 -70.2 -42.62 72.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.293 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.78 99.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.849 0.357 . . . . 0.0 111.052 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -165.39 30.14 0.21 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.484 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.38 -47.87 21.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.818 0.342 . . . . 0.0 110.794 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -126.02 -60.94 1.26 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 135.53 -113.82 1.15 Allowed Glycine 0 CA--C 1.52 0.383 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.472 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.68 138.15 67.33 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.463 2.109 . . . . 0.0 112.237 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.8 p -165.58 32.67 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 10.1 t -171.11 132.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.324 -1.264 . . . . 0.0 112.455 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.52 33.77 20.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.935 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 m -76.75 157.77 31.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.43 -84.89 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.518 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.66 -40.41 49.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.84 100.32 13.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.03 -155.2 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.3 pt -131.93 135.33 58.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.842 0.353 . . . . 0.0 111.071 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 p -108.51 -179.88 4.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.99 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mt -105.98 116.99 32.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -104.31 102.72 12.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -132.78 132.15 41.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.7 p -88.26 161.69 17.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.458 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.94 -31.45 69.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.24 -35.12 76.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -75.12 -45.25 42.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 HD12 ' HA ' ' A' ' 14' ' ' ALA . 8.4 mt -62.44 -37.95 87.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -65.46 -39.32 91.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -68.04 -31.9 71.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -80.8 -30.49 35.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.96 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.449 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 116.15 -15.98 15.53 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.715 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG12 HG13 ' A' ' 90' ' ' VAL . 21.6 t -55.38 -66.91 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.736 0.303 . . . . 0.0 111.213 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.858 HD12 HG22 ' A' ' 90' ' ' VAL . 7.3 tp -75.21 124.79 27.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 HG13 ' A' ' 81' ' ' VAL . 62.3 mt -88.88 -71.73 0.58 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -147.83 179.97 7.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.94 0.4 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 34' ' ' PHE . 31.2 mt -146.36 119.85 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.027 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.86 63.35 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -176.34 -56.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD22 ' NE2' ' A' ' 33' ' ' GLN . 19.1 mt -104.85 171.91 7.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 -106.92 175.96 5.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.1 t -59.91 -30.35 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.112 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -72.93 -29.33 63.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.994 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' NE2' HD22 ' A' ' 29' ' ' LEU . 10.6 mt-30 -75.65 -23.51 56.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.115 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.538 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.3 m-85 -47.49 -28.93 2.42 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.316 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.76 -49.73 76.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.964 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.1 p30 -70.16 -36.4 74.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.985 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 39.4 t -60.0 137.79 21.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.134 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 tt -143.6 140.02 25.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.031 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -120.73 109.7 15.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.939 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -91.36 123.4 34.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.9 mt -120.68 113.93 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.9 m -95.1 113.82 62.32 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_exo -56.34 169.2 1.68 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.419 2.079 . . . . 0.0 112.296 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.3 p -136.69 155.46 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -66.53 -31.92 72.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.22 147.32 25.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -91.14 144.69 8.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.25 -40.5 2.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.526 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.22 138.72 35.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.82 0.343 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -130.09 157.27 42.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -111.77 106.49 15.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.25 142.07 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.09 116.44 5.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -90.56 114.59 26.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.042 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.52 100.0 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -177.75 -67.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 tpt -117.08 -41.48 3.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.75 60.09 3.93 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 10.6 m -98.3 31.74 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.837 0.351 . . . . 0.0 111.146 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -86.82 -170.35 3.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.96 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -39.72 54.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -65.83 122.3 17.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.44 146.25 24.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -66.96 104.88 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttt -78.34 116.76 18.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.0 tp -113.22 101.82 9.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -71.68 172.07 10.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.921 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -99.97 -31.46 11.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -31.38 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -74.81 -40.5 61.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.956 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 54.1 mt -60.18 -51.73 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.1 mt -63.56 -31.13 72.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.986 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.1 tm0? -61.67 -33.51 74.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.914 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 22.1 mt -64.92 -45.34 86.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -68.16 -31.36 70.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.848 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -73.14 -35.36 66.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -81.74 -63.38 1.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 147.83 45.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.485 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG12 ' O ' ' A' ' 81' ' ' VAL . 20.5 t -124.1 95.09 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.45 -31.83 60.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HD12 ' A' ' 24' ' ' LEU . 20.8 t -103.25 134.06 45.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.6 ttp -108.75 129.55 55.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -88.5 100.06 12.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.944 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.14 134.07 44.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 59.3 23.13 11.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 54.8 27.16 8.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.224 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -151.21 -73.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' HA ' HG23 ' A' ' 26' ' ' ILE . . . -57.93 143.14 43.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 37.7 mttm -126.3 129.89 49.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.798 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.858 HG22 HD12 ' A' ' 23' ' ' LEU . 21.9 t -125.22 152.23 31.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -82.58 123.64 29.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.764 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 22.0 t -70.58 -30.39 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -71.95 -28.14 63.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.098 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.449 HD13 ' C ' ' A' ' 21' ' ' GLY . 8.2 mt -102.01 -28.01 12.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.176 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.19 -43.14 82.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.019 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.0 mt -76.09 -31.05 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.207 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -60.77 -42.27 97.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -66.81 -37.84 85.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.048 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 6.2 mt -80.95 -24.78 37.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.67 -26.76 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.345 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 mtpm? -116.03 -34.62 4.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.237 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -61.84 -64.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.123 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -92.52 -48.3 6.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.128 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -57.95 119.07 6.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.927 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 130.32 81.91 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 2.9 mtpm? -78.72 -31.48 46.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 53.9 p -66.5 106.27 1.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -87.07 -144.91 8.97 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.464 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.72 97.27 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 0.0 112.306 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.1 p -113.79 -176.99 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.2 t -121.23 98.3 5.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.451 -1.194 . . . . 0.0 112.483 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -150.25 162.59 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -106.23 -178.9 3.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.59 -107.12 3.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.461 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.8 t 60.71 101.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 110.94 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t 63.24 122.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.75 -116.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.7 pt -103.48 142.12 17.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 111.158 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 m 60.86 159.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -95.43 156.29 16.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HG3' HD11 ' A' ' 38' ' ' ILE . 1.1 tptm -136.51 108.38 7.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -145.0 121.84 11.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.3 p -75.96 166.06 24.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.467 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -60.44 -33.65 72.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.168 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.64 -37.18 82.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.07 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -40.24 89.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.9 mt -71.97 -37.24 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -60.21 -45.92 91.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -62.89 -37.01 85.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.806 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.2 mttm -71.73 -31.03 66.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.33 -18.17 15.95 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.713 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.62 HG12 HG13 ' A' ' 90' ' ' VAL . 31.3 t -57.2 -67.74 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.761 0.315 . . . . 0.0 111.181 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.686 HD23 ' CE2' ' A' ' 34' ' ' PHE . 21.4 tp -71.3 131.82 44.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.61 ' CD1' HG13 ' A' ' 81' ' ' VAL . 14.7 mt -94.71 -68.23 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.985 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -158.61 180.0 8.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.475 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -136.66 135.39 48.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -86.71 55.6 3.63 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' CG ' HG22 ' A' ' 26' ' ' ILE . 1.9 p30 -178.39 -39.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.541 HD22 ' CB ' ' A' ' 33' ' ' GLN . 35.4 mt -115.13 166.13 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -111.48 171.86 7.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.2 t -55.95 -29.05 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.233 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -72.36 -28.19 62.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.541 ' CB ' HD22 ' A' ' 29' ' ' LEU . 5.8 mm-40 -88.08 -10.7 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.436 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.8 m-85 -52.82 -27.36 17.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.761 0.315 . . . . 0.0 111.126 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.3 mtmt -66.68 -32.81 74.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.043 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -94.71 45.29 1.11 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.492 HG12 ' CE1' ' A' ' 39' ' ' PHE . 21.5 t -152.37 99.97 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.62 HD11 ' HG3' ' A' ' 11' ' ' LYS . 7.5 tp -101.97 143.88 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' CE1' HG12 ' A' ' 37' ' ' VAL . 24.0 m-85 -117.83 103.28 9.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -84.29 126.9 33.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.938 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.8 mt -121.59 127.36 75.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -103.54 111.55 65.17 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -72.27 116.42 4.7 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.478 2.119 . . . . 0.0 112.302 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.5 p -78.61 176.11 9.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -86.83 -40.29 15.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.806 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -71.51 138.99 49.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.9 p -75.43 134.74 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.045 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.08 -29.45 12.04 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.44 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -83.61 136.84 34.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.31 108.28 6.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.972 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' HG21 ' A' ' 63' ' ' THR . 3.3 tt0 -89.51 106.31 18.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.886 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 ' O ' HG22 ' A' ' 63' ' ' THR . 21.7 t -108.46 144.32 17.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.612 ' HB2' HG23 ' A' ' 63' ' ' THR . 5.1 ttpt -140.0 147.39 40.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.804 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -156.31 102.37 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -145.85 178.87 7.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -118.0 31.66 6.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 6.2 ttm -146.6 -55.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 98.22 50.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.461 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.0 m -108.72 124.46 65.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 111.114 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -71.07 106.61 3.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 7.2 mtp -135.24 -52.32 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -170.02 102.18 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.634 HG21 ' HG2' ' A' ' 51' ' ' GLU . 3.1 m -73.36 167.27 21.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -91.95 116.27 28.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.59 106.9 15.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.9 tp -100.94 113.76 27.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -84.9 168.15 15.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.962 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.421 ' CD2' HD11 ' A' ' 72' ' ' LEU . 19.7 t80 -94.71 -31.65 13.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.515 ' HA ' HD12 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -61.21 -42.33 98.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -60.38 -36.83 78.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.94 -44.33 89.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.515 HD12 ' HA ' ' A' ' 69' ' ' GLN . 3.1 mt -69.48 -31.55 69.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -61.54 -31.31 71.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' CD1' HG21 ' A' ' 92' ' ' VAL . 76.3 mt -73.79 -32.47 63.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -70.56 -39.69 73.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.799 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -71.67 -38.72 70.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -73.61 -37.51 65.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.12 28.09 3.99 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.531 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.58 97.04 5.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.809 0.338 . . . . 0.0 111.143 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -29.81 60.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.175 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.61 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.2 t -92.89 137.62 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.5 ttt -119.9 127.27 52.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -86.1 106.32 17.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.405 HD12 HG21 ' A' ' 90' ' ' VAL . 11.0 mt -108.09 135.93 48.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 60.1 21.65 10.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 53.94 29.46 10.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.13 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -152.23 -75.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.48 142.42 58.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.203 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -115.5 148.15 39.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.797 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.62 HG13 HG12 ' A' ' 22' ' ' VAL . 21.2 t -136.4 158.16 37.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.469 ' N ' HG12 ' A' ' 90' ' ' VAL . 50.5 t-20 -91.33 119.89 31.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.484 HG21 ' CD1' ' A' ' 74' ' ' LEU . 31.8 t -69.3 -28.08 37.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.206 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -67.32 -29.18 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.151 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 27.2 mt -106.96 -28.94 9.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.188 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 50.4 tp -56.9 -40.45 76.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.406 HG22 HD22 ' A' ' 100' ' ' ASN . 22.5 mt -78.27 -30.12 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.127 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -62.57 -45.63 92.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 98' ' ' LEU . 10.1 tp -58.71 -45.84 88.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.999 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 103' ' ' PHE . 10.6 mt -71.11 -30.42 66.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.007 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.406 HD22 HG22 ' A' ' 96' ' ' ILE . 0.5 OUTLIER -62.49 -24.6 67.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 -179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -110.88 -20.88 12.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.3 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -90.67 -77.81 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.756 0.312 . . . . 0.0 111.334 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.406 ' CD1' HD23 ' A' ' 99' ' ' LEU . 82.6 m-85 -67.69 -40.42 84.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.261 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.8 114.83 2.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 111.006 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.34 35.59 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.528 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -126.98 -52.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.79 68.96 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.27 -62.46 2.74 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.657 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.25 -27.86 55.9 Favored 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.544 2.163 . . . . 0.0 112.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 t -60.64 132.92 55.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.43 139.46 32.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.082 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.504 179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -146.6 32.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.786 0.327 . . . . 0.0 110.926 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -106.85 -41.64 5.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.92 49.29 55.52 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.522 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 m -78.69 -62.22 1.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.23 86.57 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -128.56 21.56 5.36 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.608 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 7' ' ' GLY . 20.9 pt -158.45 177.87 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.362 . . . . 0.0 111.056 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.4 m -150.3 172.89 14.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.843 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.42 HD12 ' CE2' ' A' ' 103' ' ' PHE . 20.8 mt -85.44 112.12 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -96.09 115.55 27.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -145.52 126.79 14.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.963 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.2 p -77.45 163.6 26.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.455 ' HA ' HD12 ' A' ' 17' ' ' LEU . . . -59.45 -33.24 71.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.044 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.12 -36.25 83.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.064 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.66 -39.55 73.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 14' ' ' ALA . 4.0 mt -73.25 -35.43 66.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.987 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -66.88 -41.81 86.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.13 -42.79 99.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -66.6 -31.16 71.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.964 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.84 -17.8 11.82 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.67 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.776 HG12 HG13 ' A' ' 90' ' ' VAL . 21.5 t -55.87 -66.83 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.805 0.336 . . . . 0.0 111.263 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.695 HD12 HG22 ' A' ' 90' ' ' VAL . 13.8 tp -75.35 119.19 19.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.864 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.766 HD12 HG13 ' A' ' 81' ' ' VAL . 26.2 mt -79.5 -66.5 0.86 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -156.69 168.77 26.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.607 HD11 HD21 ' A' ' 23' ' ' LEU . 36.3 mt -131.32 120.12 45.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.184 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -76.08 63.25 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -177.53 -48.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.929 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -109.26 152.27 25.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -89.19 165.05 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -51.81 -31.37 13.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.395 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -76.44 -29.87 57.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.604 ' HB3' HD12 ' A' ' 29' ' ' LEU . 5.1 mt-30 -80.82 -11.16 59.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.385 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.415 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.6 m-85 -53.29 -30.42 38.61 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.827 0.346 . . . . 0.0 111.069 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -32.01 71.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -67.72 -53.08 30.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.2 t -63.53 139.18 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.5 tt -127.35 130.79 70.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.997 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -99.53 116.26 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.837 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -108.77 107.04 17.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.6 110.13 29.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.65 132.89 32.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -74.99 159.68 41.11 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.417 2.078 . . . . 0.0 112.329 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.2 p -110.34 172.88 6.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.36 -31.77 60.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -101.63 156.63 17.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.8 p -82.31 146.34 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.127 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 -30.84 8.3 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.415 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -94.62 136.78 34.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -128.86 173.23 10.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.08 104.4 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 26.0 t -93.24 135.34 28.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -136.03 104.63 5.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -122.33 100.0 6.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.049 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptpt -152.14 152.83 32.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.74 -55.98 5.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.63 -33.47 5.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.07 98.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.422 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.451 HG13 ' N ' ' A' ' 60' ' ' GLN . 10.9 p -114.09 -43.05 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.12 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.451 ' N ' HG13 ' A' ' 59' ' ' VAL . 2.2 tt0 -75.47 156.75 34.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.001 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.5 mmt -101.75 -175.03 2.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.822 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 64.27 106.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.805 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.69 153.42 38.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.931 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -84.41 139.1 32.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.7 mtt -115.89 135.17 54.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.93 124.86 50.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 42.2 m80 -81.02 155.73 26.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -88.58 -37.34 15.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -37.07 85.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.13 -39.48 92.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.975 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.0 -52.57 55.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.69 -33.38 72.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.92 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -60.26 -31.3 70.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.585 HD13 HG21 ' A' ' 92' ' ' VAL . 22.7 mt -70.29 -43.57 70.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -60.2 -31.46 70.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 44.9 t80 -69.76 -44.04 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -73.75 -53.69 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.09 42.41 0.26 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.8 t -105.77 105.66 19.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.841 0.353 . . . . 0.0 111.116 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.15 -40.62 30.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.086 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.766 HG13 HD12 ' A' ' 24' ' ' LEU . 21.3 t -93.87 134.11 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.3 ttt -110.9 142.81 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.14 110.46 23.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.7 mt -122.17 130.45 53.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.931 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 60.9 19.7 10.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.231 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.9 t0 52.73 41.14 31.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.194 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -164.0 -77.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.83 133.31 55.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.663 ' HD3' HG11 ' A' ' 81' ' ' VAL . 17.3 mttt -111.94 126.91 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.727 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.942 HG11 HD13 ' A' ' 95' ' ' LEU . 19.9 t -119.6 152.24 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.454 HD22 HD12 ' A' ' 94' ' ' LEU . 63.5 t30 -89.78 117.21 28.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.827 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.585 HG21 HD13 ' A' ' 74' ' ' LEU . 22.1 t -64.48 -29.84 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.108 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -64.75 -33.22 75.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.091 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 91' ' ' ASN . 22.0 mt -102.59 -26.58 13.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.112 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.942 HD13 HG11 ' A' ' 90' ' ' VAL . 29.4 tp -56.24 -52.25 65.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.855 0.359 . . . . 0.0 111.123 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.3 mt -70.52 -30.66 43.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.094 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -63.48 -32.17 73.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.925 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.5 tp -77.66 -51.35 10.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.043 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 4.4 mt -59.1 -32.87 70.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.978 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.21 -27.39 54.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.237 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -110.84 -29.09 8.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.135 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -72.35 -75.21 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.099 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CE2' HD12 ' A' ' 10' ' ' LEU . 89.6 m-85 -84.17 -50.67 7.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.09 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 92.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -177.62 54.38 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.444 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.68 -52.99 58.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.329 . . . . 0.0 110.88 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.02 -43.44 8.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.64 132.73 0.07 OUTLIER Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.407 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -73.45 172.91 14.73 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.494 2.129 . . . . 0.0 112.382 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.69 162.96 35.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.5 t 60.77 172.49 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.396 -1.225 . . . . 0.0 112.5 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 p -168.61 -45.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.899 0.38 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -95.66 160.08 14.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.69 139.01 3.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.544 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 61.12 112.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.835 0.35 . . . . 0.0 110.867 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 p -69.56 163.55 25.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.23 173.17 32.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.551 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mt 63.67 141.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 0.0 111.151 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.93 135.35 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.22 152.86 18.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.662 ' HG3' HD11 ' A' ' 38' ' ' ILE . 0.6 OUTLIER -150.6 104.5 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -133.72 127.89 33.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.4 p -73.63 158.72 34.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -36.3 83.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.058 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.91 -31.1 71.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.22 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 41.2 mmt-85 -68.86 -56.82 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.9 mt -59.76 -31.49 69.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -65.84 -44.38 85.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -68.31 -31.44 70.87 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -72.99 -34.01 66.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 118.06 -20.16 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.657 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.493 HG12 ' CG1' ' A' ' 90' ' ' VAL . 25.4 t -56.91 -60.91 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.147 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.861 ' CD1' HG22 ' A' ' 90' ' ' VAL . 16.4 tp -76.99 134.76 38.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.78 HD12 HG13 ' A' ' 81' ' ' VAL . 90.0 mt -96.1 -70.0 0.73 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -160.02 179.87 8.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.1 mt -137.39 147.32 26.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.089 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -92.36 49.21 1.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -174.51 -50.09 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.6 mm? -97.57 126.17 42.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 57.3 mm-40 -67.91 -172.37 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.779 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.7 t -68.57 -52.35 37.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -21.16 66.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.139 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' HB3' HD12 ' A' ' 29' ' ' LEU . 4.3 mt-30 -71.83 -20.54 61.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.499 -0.318 . . . . 0.0 111.0 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -51.95 -26.69 11.01 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.211 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -68.98 -28.12 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -98.3 32.62 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.966 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -143.33 137.26 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.035 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.662 HD11 ' HG3' ' A' ' 11' ' ' LYS . 1.3 tt -135.38 142.17 40.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.188 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -105.64 113.33 26.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -97.77 101.24 12.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.5 mt -102.1 104.17 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.111 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -91.63 125.25 58.28 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.11 140.5 70.66 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.325 2.017 . . . . 0.0 112.309 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.602 HG21 ' HB3' ' A' ' 49' ' ' ASP . 0.2 OUTLIER -87.49 167.67 13.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.931 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -73.08 -40.66 64.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.36 -176.71 3.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.3 p -102.59 145.85 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.049 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.74 -30.45 10.27 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.602 ' HB3' HG21 ' A' ' 44' ' ' THR . 8.9 t0 -90.04 159.75 16.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.827 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -149.09 131.31 15.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.534 ' HG2' HG21 ' A' ' 63' ' ' THR . 10.6 tt0 -96.61 113.27 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.94 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -108.12 133.85 51.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' HD3' HG23 ' A' ' 63' ' ' THR . 1.2 tptp -133.41 149.04 51.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -127.71 106.46 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.57 103.07 0.99 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.934 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.8 -60.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.4 mmt -137.2 86.78 2.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -65.47 110.21 3.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.43 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 59' ' ' VAL . 11.1 p -123.89 122.06 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 111.062 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 60.54 157.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.21 81.43 7.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -163.52 141.19 7.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' HD3' ' A' ' 53' ' ' LYS . 4.0 m -112.83 166.47 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -80.55 146.6 31.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -111.61 118.72 36.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.0 tp -108.39 116.63 32.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.938 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.6 m80 -90.66 151.33 21.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.401 ' HA ' HD12 ' A' ' 71' ' ' LEU . 28.5 t80 -75.23 -31.03 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.03 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.1 mm-40 -60.53 -37.07 79.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.41 -39.47 87.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.516 HD22 HD23 ' A' ' 95' ' ' LEU . 13.5 mt -64.79 -40.85 95.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.9 mt -77.76 -30.23 51.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -59.18 -31.16 68.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 92' ' ' VAL . 14.6 mt -76.17 -45.33 33.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.855 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -31.72 72.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -70.09 -46.29 65.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -70.41 -68.39 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.0 45.47 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.4 t -122.66 119.68 58.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.374 . . . . 0.0 111.141 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.31 -31.32 20.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.78 HG13 HD12 ' A' ' 24' ' ' LEU . 21.4 t -97.17 154.1 3.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 81' ' ' VAL . 5.4 ttp -121.92 169.29 10.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.19 106.72 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.965 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 28.4 mt -112.16 127.29 55.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.935 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 60.77 24.79 14.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 55.86 33.92 22.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.081 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.82 -63.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.931 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -59.11 125.77 24.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt -117.14 109.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.861 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.4 t -109.65 156.59 10.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.175 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.44 ' N ' HG12 ' A' ' 90' ' ' VAL . 61.6 t30 -81.08 120.51 24.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 74' ' ' LEU . 29.4 t -69.43 -27.65 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.245 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.65 -28.97 62.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 94' ' ' LEU . 13.9 mt -101.36 -29.65 11.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.516 HD23 HD22 ' A' ' 71' ' ' LEU . 53.9 tp -58.16 -39.46 78.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.0 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.3 mt -79.03 -30.07 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.6 tp -66.07 -56.19 12.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 78.7 mt -57.82 -22.38 47.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.223 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.36 -25.02 58.79 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.335 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -115.51 -31.72 5.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.363 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 32.6 mmtt -58.39 -74.7 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.36 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -86.99 -41.38 13.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.234 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -54.35 110.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.06 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -179.84 -72.48 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.394 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 63.97 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.708 0.29 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.0 p -68.51 -38.43 80.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 98.68 159.96 29.8 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.27 120.57 7.52 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.587 2.191 . . . . 0.0 112.308 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.48 133.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.1 m -119.38 -62.98 1.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.358 -1.246 . . . . 0.0 112.471 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 p -77.79 179.61 6.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.885 0.374 . . . . 0.0 110.856 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.2 p -106.96 145.95 31.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.39 65.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.525 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -83.14 162.21 21.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.848 0.356 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.1 p -93.02 -49.48 6.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.4 66.68 0.79 Allowed Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.533 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.559 ' H ' HD12 ' A' ' 8' ' ' ILE . 3.9 mp -72.0 150.77 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.756 0.312 . . . . 0.0 111.121 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 62.08 115.65 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.53 127.54 35.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' CG ' HD11 ' A' ' 38' ' ' ILE . 0.1 OUTLIER -110.76 111.59 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.949 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -134.99 139.71 45.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.1 p -91.49 168.57 11.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.79 -47.45 85.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.06 -35.7 75.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.059 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.7 mmt85 -63.3 -56.39 16.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mt -65.18 -31.28 72.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.0 t-80 -62.9 -47.79 81.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.73 -30.93 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -74.11 -33.99 63.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 119.78 -21.08 9.15 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.689 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.2 t -55.32 -66.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.807 0.336 . . . . 0.0 111.318 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.424 HD12 HG22 ' A' ' 90' ' ' VAL . 14.1 tp -68.51 121.9 17.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.959 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.528 HD21 ' HB2' ' A' ' 91' ' ' ASN . 37.1 mt -84.16 -68.41 0.72 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -158.17 -179.99 8.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 32.0 mt -138.32 123.16 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.097 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -79.13 61.69 3.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -178.1 -39.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.5 mt -117.48 172.1 7.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -113.65 173.34 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.764 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.7 t -55.24 -28.71 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.322 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -73.54 -28.08 61.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.963 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -84.43 -10.03 57.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.398 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -57.2 -20.87 29.52 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.683 0.278 . . . . 0.0 111.233 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 20.0 mttt -93.45 30.94 1.6 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.759 0.314 . . . . 0.0 111.071 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.9 m-20 -130.01 -45.83 1.14 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.779 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 38' ' ' ILE . 21.3 t -73.6 159.24 5.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.052 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.822 HD11 ' CG ' ' A' ' 11' ' ' LYS . 18.2 tt -138.93 139.1 41.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.122 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -111.39 113.0 25.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -102.22 110.99 23.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.7 mt -105.3 121.53 57.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -104.47 127.25 29.42 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.92 141.62 33.63 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.434 2.089 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 34.4 p -104.07 152.33 22.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -61.97 -42.11 98.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -74.77 134.17 41.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.2 p -73.57 130.18 35.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.1 -33.37 6.05 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.469 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -89.8 154.67 19.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -146.27 176.2 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HG21 ' A' ' 63' ' ' THR . 4.1 tt0 -140.55 101.27 4.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.786 ' O ' HG22 ' A' ' 63' ' ' THR . 27.2 t -92.66 157.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.02 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.597 ' HD2' HG23 ' A' ' 63' ' ' THR . 10.2 tttm -147.97 147.9 30.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.832 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -139.06 117.6 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.2 157.44 35.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.79 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 62.12 39.48 12.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.1 tpt -173.96 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -101.96 160.08 17.93 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.488 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.1 p -112.0 -32.05 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.03 39.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.798 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 1.1 ttp 63.34 31.64 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.11 104.65 14.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.786 HG22 ' O ' ' A' ' 52' ' ' VAL . 0.2 OUTLIER -59.94 146.76 41.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.854 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -87.58 115.54 25.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.813 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.51 142.45 51.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.535 HD11 ' CE ' ' A' ' 82' ' ' MET . 19.5 tp -128.02 129.34 46.55 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -102.85 155.42 18.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.678 ' HA ' HD12 ' A' ' 71' ' ' LEU . 0.7 OUTLIER -82.0 -31.13 31.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 6.5 tm0? -60.78 -40.91 94.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.23 -34.13 75.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 68' ' ' TYR . 22.4 mt -68.54 -40.5 80.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.0 mt -76.25 -31.33 58.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.03 -31.6 71.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.511 HD13 HG21 ' A' ' 92' ' ' VAL . 84.5 mt -70.77 -45.41 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -60.01 -31.56 70.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 48.8 t80 -73.88 -43.33 58.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.95 -37.45 64.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.14 29.9 2.88 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.68 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -104.27 85.55 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.879 0.371 . . . . 0.0 111.092 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.45 -34.5 76.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.056 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.68 ' O ' HG12 ' A' ' 79' ' ' VAL . 21.5 t -87.23 144.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.535 ' CE ' HD11 ' A' ' 66' ' ' LEU . 2.7 ttt -124.15 124.07 41.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.949 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -77.47 98.29 5.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 84' ' ' LEU . 21.8 mt -105.66 130.71 53.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 55.9 m-85 59.15 22.35 10.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.18 31.47 14.09 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.084 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.1 mtt85 -160.36 -72.54 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.89 129.95 44.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -111.11 131.35 55.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.496 ' CG1' HG12 ' A' ' 22' ' ' VAL . 20.3 t -127.75 147.08 32.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' HB2' HD21 ' A' ' 24' ' ' LEU . 48.9 t30 -78.68 120.41 23.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.511 HG21 HD13 ' A' ' 74' ' ' LEU . 28.2 t -70.11 -30.28 43.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -66.71 -30.65 70.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 95.4 mt -102.86 -29.47 11.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.38 -45.03 89.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.51 -32.78 21.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.49 -46.79 85.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.981 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.0 tp -59.3 -54.35 47.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.984 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 39.8 mt -60.73 -30.39 69.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.984 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -58.02 -25.41 61.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.25 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.93 -23.55 10.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.313 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -80.1 -76.68 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.239 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -75.06 -44.78 45.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.288 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.16 114.18 1.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -173.01 -50.03 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.441 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.7 tttt 59.3 101.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.76 -54.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -167.84 78.23 0.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.92 -170.91 0.43 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.572 2.181 . . . . 0.0 112.283 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -136.86 175.29 9.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.861 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.35 -53.04 6.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.514 179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.95 -50.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.768 0.318 . . . . 0.0 110.822 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -145.9 141.05 27.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 33.63 0.17 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.1 m -142.09 -176.26 4.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.822 0.344 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.38 144.39 48.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.605 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -107.97 25.01 21.91 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.599 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.605 HG23 ' O ' ' A' ' 7' ' ' GLY . 8.5 pt -161.05 96.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 p -131.75 166.39 21.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.48 HD13 ' CZ ' ' A' ' 103' ' ' PHE . 2.7 mp -87.79 131.81 34.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 mmmm -119.69 109.37 15.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.956 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -132.08 133.18 44.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 p -90.04 163.57 14.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.14 81.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.134 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.7 -31.34 71.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.081 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -74.65 -56.89 4.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -60.42 -34.97 74.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -62.26 -45.9 91.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -64.68 -38.54 91.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 36.7 mttm -68.93 -31.61 70.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.6 -21.1 10.75 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.688 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.705 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.3 t -54.01 -66.79 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.842 0.353 . . . . 0.0 111.307 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 34.6 tp -71.91 121.75 19.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.803 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.0 mt -79.62 -66.55 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -156.77 176.3 12.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.977 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.699 HD12 ' CE1' ' A' ' 34' ' ' PHE . 40.8 mt -134.26 114.75 19.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -77.29 64.52 2.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -173.34 -50.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.961 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD12 ' CG2' ' A' ' 37' ' ' VAL . 81.8 mt -110.54 175.33 5.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.956 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -100.16 171.37 7.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.967 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.2 t -58.23 -38.08 66.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.84 -25.04 61.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -82.74 -9.92 59.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.54 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.699 ' CE1' HD12 ' A' ' 26' ' ' ILE . 2.3 m-85 -52.02 -31.51 30.11 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.859 0.362 . . . . 0.0 111.171 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -28.33 69.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 -75.16 -38.81 60.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.017 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.538 ' CG2' HD12 ' A' ' 29' ' ' LEU . 25.5 t -68.03 138.55 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.215 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.468 HG23 ' O ' ' A' ' 38' ' ' ILE . 7.6 tt -142.29 120.83 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.015 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.0 m-85 -96.2 124.55 40.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -107.39 108.64 20.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.805 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.6 mt -102.53 115.24 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.066 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 m -96.25 115.73 65.76 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.798 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.54 148.74 67.16 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.31 2.007 . . . . 0.0 112.29 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.25 168.63 9.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -65.12 -37.22 86.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.833 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.65 173.03 11.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.0 p -109.87 121.62 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 126.14 -30.46 4.32 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.591 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.96 138.19 33.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.947 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' CE1' ' CD2' ' A' ' 103' ' ' PHE . 37.0 m-85 -133.19 138.8 46.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.4 ' HG2' HG21 ' A' ' 63' ' ' THR . 2.7 tt0 -99.93 110.4 22.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.588 HG12 ' HZ ' ' A' ' 85' ' ' PHE . 26.1 t -92.51 129.22 43.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.477 ' HD2' HG23 ' A' ' 63' ' ' THR . 24.2 tttt -141.73 104.92 4.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -145.21 103.4 3.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.159 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -152.83 156.95 40.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -84.14 -34.58 24.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.42 -41.58 2.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 100.04 115.96 3.83 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.526 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 12.4 m -108.17 132.0 57.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 111.147 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 60.22 176.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.5 mtp -99.14 -41.23 7.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.01 121.87 12.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.477 HG23 ' HD2' ' A' ' 53' ' ' LYS . 0.9 OUTLIER -78.25 163.12 26.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.016 179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -78.29 119.23 21.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -95.36 118.75 32.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 45.0 tp -101.83 137.93 39.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.43 166.34 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -97.5 -34.91 10.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -60.31 -33.86 72.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -69.35 -35.01 75.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.908 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -66.02 -53.28 40.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.67 -33.51 72.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.1 tm0? -62.47 -32.38 73.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.83 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -72.6 -38.85 67.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.81 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -65.47 -30.85 71.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.925 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -86.3 -31.97 21.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.88 -34.76 62.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.3 3.34 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.511 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.409 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.7 t -109.57 100.39 10.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 111.145 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 92' ' ' VAL . . . -81.69 -29.14 33.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.191 -179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.656 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.3 t -96.58 134.65 33.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.45 ' HB2' HG22 ' A' ' 92' ' ' VAL . 6.1 ttp -120.14 122.74 41.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.781 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -78.22 104.06 8.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.54 HD12 ' CG2' ' A' ' 90' ' ' VAL . 5.9 mt -99.61 127.34 45.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.786 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.588 ' HZ ' HG12 ' A' ' 52' ' ' VAL . 56.1 m-85 60.77 22.37 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.087 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.5 28.41 9.66 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.116 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.71 -75.07 0.26 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.16 147.32 40.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.455 ' HB3' HD12 ' A' ' 24' ' ' LEU . 60.3 mttt -118.82 138.4 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.705 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.5 t -125.94 148.6 30.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -75.16 121.01 21.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.45 HG22 ' HB2' ' A' ' 82' ' ' MET . 16.8 t -68.45 -37.43 77.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.114 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.11 -30.35 70.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.957 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 47.0 mt -99.41 -28.68 13.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.061 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.6 tp -57.7 -48.76 78.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.1 mt -73.84 -31.66 31.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -64.64 -48.33 75.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.775 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.0 tp -59.44 -49.36 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 24.7 mt -64.74 -28.48 69.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -57.9 -28.21 64.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mttp -108.95 -30.6 8.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -72.78 -76.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.056 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.48 ' CZ ' HD13 ' A' ' 10' ' ' LEU . 40.9 m-85 -72.45 -49.63 31.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.989 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -58.49 109.53 0.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 135.48 96.96 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp -97.45 38.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.864 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.0 t -78.88 90.16 4.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.7 -133.22 1.56 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.395 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.85 158.84 55.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.455 2.103 . . . . 0.0 112.194 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 53.8 p -123.75 25.57 8.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.061 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.5 p 53.83 -168.09 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.053 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.32 -1.267 . . . . 0.0 112.474 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.097 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -93.16 141.76 28.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.868 0.366 . . . . 0.0 110.889 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -71.09 100.99 2.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.25 -172.47 22.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.527 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -164.81 86.68 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.842 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 m -128.97 31.24 4.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.87 163.54 37.41 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.54 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -129.35 147.68 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -132.56 145.95 51.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.3 129.38 39.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.829 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.44 102.49 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -133.29 123.9 26.32 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 45.2 p -75.96 166.16 23.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -64.87 -31.71 73.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.091 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.08 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.057 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.11 -50.62 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.2 -31.22 69.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.921 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -63.79 -53.93 43.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.07 -33.82 75.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -65.29 -31.06 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.5 -24.94 9.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.613 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.51 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.4 t -56.48 -66.67 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.813 0.34 . . . . 0.0 111.211 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.573 ' CD1' HG22 ' A' ' 90' ' ' VAL . 14.0 tp -71.48 123.72 23.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 HD12 HG13 ' A' ' 81' ' ' VAL . 58.8 mt -86.07 -69.99 0.63 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -160.1 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 ' CZ ' ' A' ' 34' ' ' PHE . 36.0 mt -137.94 128.45 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.995 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -84.12 58.36 4.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -174.27 -58.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.998 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.1 mt -95.82 160.64 14.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -92.25 169.1 10.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.55 -31.26 43.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -74.72 -29.38 61.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -77.31 -11.59 59.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.349 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.409 ' CZ ' HG13 ' A' ' 26' ' ' ILE . 2.8 m-85 -53.53 -30.73 43.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.846 0.355 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 mtpp -61.47 -31.05 71.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 -71.02 -47.82 56.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.5 t -62.51 136.07 26.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.182 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 tp -133.66 136.31 54.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.025 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -120.28 109.96 16.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.975 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.32 113.24 25.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.1 mp -103.49 117.38 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 m -97.25 130.03 30.63 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HB3' ' CE1' ' A' ' 103' ' ' PHE . 64.9 Cg_endo -73.93 120.63 6.46 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.446 2.098 . . . . 0.0 112.279 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 p -84.64 156.7 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -59.87 -31.35 69.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -91.52 144.1 25.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -80.55 146.5 7.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.48 -37.73 3.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.49 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -87.58 160.46 18.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.831 0.348 . . . . 0.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.43 ' CE2' HD13 ' A' ' 99' ' ' LEU . 43.6 m-85 -149.42 172.68 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.833 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -128.54 100.4 5.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -91.15 119.77 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.9 tttm -135.14 132.96 38.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -138.76 122.95 18.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 108.03 1.94 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -153.04 -54.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.3 tmm? -119.07 -41.4 2.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 99.05 153.41 28.14 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.538 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 62' ' ' GLU . 20.9 m -132.63 175.79 10.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.761 0.315 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -118.56 84.18 2.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.27 31.01 20.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.468 ' O ' HG21 ' A' ' 59' ' ' VAL . 13.0 mt-10 -139.26 105.42 5.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.964 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.34 146.22 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -72.27 118.99 15.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.0 mtt -103.33 121.5 42.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.8 tp -85.26 110.97 19.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -79.52 143.85 34.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -77.5 -31.51 53.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -63.88 -44.98 91.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.89 -38.48 85.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.491 HD13 HG12 ' A' ' 96' ' ' ILE . 63.9 mt -62.91 -46.29 88.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.0 mt -63.37 -31.56 72.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -33.11 73.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 8.8 mt -75.9 -34.12 59.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -68.25 -31.23 70.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -76.07 -47.18 25.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -67.55 -40.25 84.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.953 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.64 -21.39 5.36 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.632 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -55.38 94.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.733 0.302 . . . . 0.0 111.223 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.04 -22.36 39.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.316 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.484 HG13 HD12 ' A' ' 24' ' ' LEU . 20.7 t -106.83 139.0 29.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.844 0.354 . . . . 0.0 111.266 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.8 ttp -118.61 119.67 35.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.811 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.17 100.67 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.964 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.8 138.17 34.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 59.4 21.34 9.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 55.26 23.83 5.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.186 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 2.1 mmt85 -144.95 -73.01 0.25 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.73 154.23 33.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.272 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -134.72 134.34 40.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.573 HG22 ' CD1' ' A' ' 23' ' ' LEU . 20.1 t -125.59 151.64 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.14 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 66.8 t30 -83.06 120.49 25.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.765 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 32.3 t -70.67 -27.79 32.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -70.13 -29.89 66.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.994 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.4 mt -103.86 -29.17 11.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.057 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 HG11 ' A' ' 90' ' ' VAL . 64.1 tp -57.63 -43.16 84.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.491 HG12 HD13 ' A' ' 71' ' ' LEU . 23.1 mt -76.56 -31.48 20.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -62.87 -45.57 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 31.5 tp -58.94 -42.68 90.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.43 HD13 ' CE2' ' A' ' 50' ' ' PHE . 11.2 mt -76.1 -28.32 57.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.068 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.01 -24.91 63.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 -179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -25.0 8.34 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.332 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -71.94 -67.45 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.763 0.316 . . . . 0.0 111.218 -179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.409 ' CE1' ' HB3' ' A' ' 43' ' ' PRO . 80.2 m-85 -94.43 -46.1 7.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.38 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.3 104.61 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.877 0.37 . . . . 0.0 111.182 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -115.37 -28.3 2.84 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.505 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 23.6 mmmt -59.56 156.48 13.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 p -136.75 111.53 8.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 133.06 97.01 0.63 Allowed Glycine 0 CA--C 1.519 0.317 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.419 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.67 139.39 48.22 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.233 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 1.4 m 61.45 96.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 75.7 p -172.9 124.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.364 -1.242 . . . . 0.0 112.53 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 112.594 -0.203 . . . . 0.0 112.594 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -67.75 138.98 56.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.815 0.34 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -154.02 -66.52 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.3 -103.72 2.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -165.51 157.96 15.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.961 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.98 31.67 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.918 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 8' ' ' ILE . . . -157.04 -162.82 11.82 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.581 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG23 ' O ' ' A' ' 7' ' ' GLY . 1.3 pt -157.72 133.95 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 111.087 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.9 t -108.49 158.7 17.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.4 mt -101.62 113.96 27.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.44 109.95 21.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -130.05 148.85 51.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.5 p -99.21 159.89 14.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.816 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.68 -35.32 75.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.64 74.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.17 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -73.12 -52.78 12.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.01 -31.49 68.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -69.4 -53.04 21.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -61.96 -30.98 71.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -74.72 -34.51 62.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.707 ' O ' HD13 ' A' ' 94' ' ' LEU . . . 121.37 -20.49 8.37 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.612 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.7 t -57.02 -67.93 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.834 0.349 . . . . 0.0 111.222 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.776 HD12 HG22 ' A' ' 90' ' ' VAL . 7.2 tp -74.36 132.88 42.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD12 HG13 ' A' ' 81' ' ' VAL . 56.8 mt -95.06 -70.28 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.893 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -151.56 -179.93 7.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.411 HD12 ' CE1' ' A' ' 34' ' ' PHE . 33.6 mt -141.77 136.91 31.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -87.23 54.28 3.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -178.17 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.473 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.7 mm? -87.69 142.74 27.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -80.82 171.6 14.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.5 t -57.4 -44.01 83.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.254 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -73.3 -25.54 60.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.411 ' HB3' HD12 ' A' ' 29' ' ' LEU . 3.1 mm100 -75.78 -9.99 59.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.319 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.556 ' CE2' HD23 ' A' ' 23' ' ' LEU . 2.3 m-85 -53.39 -33.82 55.26 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.822 0.344 . . . . 0.0 111.03 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -59.52 -30.55 68.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 -68.91 -53.31 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 29.3 t -60.38 136.16 24.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 38' ' ' ILE . 2.4 tt -137.45 114.08 12.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.028 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -87.73 131.41 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -116.46 109.58 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 19.1 mt -104.17 119.99 53.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.9 m -99.07 113.4 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.808 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -68.54 121.87 8.82 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.394 2.062 . . . . 0.0 112.315 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.2 p -88.99 171.35 9.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -75.67 -40.24 56.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.78 148.59 27.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.0 p -82.54 151.66 4.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 92.16 -55.3 2.87 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.506 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -72.3 127.54 32.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -129.62 161.88 29.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.841 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -126.11 99.91 6.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.944 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.453 ' O ' HG22 ' A' ' 63' ' ' THR . 21.5 t -100.86 137.97 26.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.642 ' HD2' HG23 ' A' ' 63' ' ' THR . 12.9 tttm -141.76 161.78 37.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -132.24 99.96 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -64.48 106.18 1.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -174.47 -64.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.97 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.8 mtp -141.85 80.7 1.73 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.26 101.02 2.72 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 28.0 m -125.4 32.07 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.88 0.371 . . . . 0.0 111.165 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -138.44 173.11 11.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 8.3 ptp -101.05 154.72 18.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 60.59 156.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.642 HG23 ' HD2' ' A' ' 53' ' ' LYS . 0.2 OUTLIER -96.78 163.11 13.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -70.63 112.64 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 17.1 ttp -90.19 112.66 24.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.2 tp -95.19 113.94 25.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -92.25 149.67 21.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.467 ' HE1' HD21 ' A' ' 72' ' ' LEU . 1.7 t80 -73.75 -31.63 63.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -60.47 -31.7 70.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -73.33 -34.53 65.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 96' ' ' ILE . 88.3 mt -64.43 -46.29 83.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.467 HD21 ' HE1' ' A' ' 68' ' ' TYR . 13.3 mt -71.26 -29.98 65.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -30.9 67.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 79.1 mt -86.4 -36.2 19.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -70.77 -30.81 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -71.24 -38.76 71.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -78.12 -69.85 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.68 44.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.449 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 81' ' ' VAL . 18.8 t -118.79 97.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.79 -15.05 60.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.583 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.588 ' O ' HG12 ' A' ' 79' ' ' VAL . 17.2 t -112.05 133.89 56.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.849 0.357 . . . . 0.0 111.39 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 28.9 ttp -110.27 159.23 17.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.78 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppt? -114.44 101.02 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.069 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.524 HD12 ' CG2' ' A' ' 90' ' ' VAL . 12.8 mt -103.64 133.82 48.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.782 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 60.88 19.98 10.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.088 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.58 20.7 6.44 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.262 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -144.94 -68.15 0.31 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.756 0.312 . . . . 0.0 110.877 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.62 150.4 36.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.14 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.6 mttm -127.35 134.77 49.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.797 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.776 HG22 HD12 ' A' ' 23' ' ' LEU . 16.2 t -126.74 157.99 37.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.221 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.458 ' N ' HG12 ' A' ' 90' ' ' VAL . 3.4 t30 -90.53 122.71 33.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.842 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 23.1 t -70.98 -23.81 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.372 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -78.88 -29.91 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.707 HD13 ' O ' ' A' ' 21' ' ' GLY . 5.5 mt -100.45 -30.53 11.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.108 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.505 HD13 HG11 ' A' ' 90' ' ' VAL . 61.8 tp -59.12 -42.46 90.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.452 HG12 HD13 ' A' ' 71' ' ' LEU . 38.4 mt -74.43 -30.28 25.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -58.91 -50.73 72.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.2 tp -60.05 -51.31 70.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 42.3 mt -61.36 -28.15 69.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.048 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -57.78 -30.09 65.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.172 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.13 -28.89 7.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.389 -179.77 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.9 mmtt -65.89 -61.44 2.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.07 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -99.83 -47.86 4.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.115 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -57.37 105.75 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 158.18 85.62 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -96.42 41.42 1.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 50.9 m -125.8 -58.55 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 106.24 67.91 0.69 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.55 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.61 -28.31 26.14 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.553 2.169 . . . . 0.0 112.299 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 51.4 p -119.46 115.46 24.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 42.8 p -105.14 102.43 11.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.941 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.437 -1.202 . . . . 0.0 112.488 -179.94 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.546 -0.222 . . . . 0.0 112.546 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.44 31.93 4.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.33 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.41 -79.34 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.506 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.38 115.15 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 154.78 26.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.844 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.05 -144.4 4.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.543 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 8' ' ' ILE . 2.6 pp -136.69 140.0 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.48 154.89 27.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.86 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.44 144.81 30.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 mmmt -132.53 112.21 11.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.02 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -135.29 161.79 34.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 16.5 p -116.72 160.84 20.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.8 -44.4 93.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.05 -31.65 67.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -74.38 -50.11 19.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -61.24 -31.9 71.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 13.3 t-160 -64.39 -46.79 81.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.802 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -62.4 -37.74 86.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpt -69.99 -30.88 68.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 113.74 -18.55 19.59 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.714 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -54.17 -67.28 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.743 0.306 . . . . 0.0 111.201 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.821 HD12 HG22 ' A' ' 90' ' ' VAL . 22.8 tp -74.76 134.35 41.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.7 mt -92.87 -70.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -160.02 -179.96 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.971 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG22 ' OD1' ' A' ' 28' ' ' ASP . 22.8 mt -126.43 141.55 45.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.052 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -90.95 51.13 1.9 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.918 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.504 ' OD1' HG22 ' A' ' 26' ' ' ILE . 1.7 p-10 -177.92 -45.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.457 HD22 ' OE1' ' A' ' 33' ' ' GLN . 89.0 mt -97.87 167.52 10.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -98.94 -175.8 3.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.833 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.6 t -73.81 -32.38 34.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -77.06 -24.45 51.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.052 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.457 ' OE1' HD22 ' A' ' 29' ' ' LEU . 20.9 mt-30 -72.77 -18.7 61.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.162 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.77 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.8 -28.01 14.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.803 0.335 . . . . 0.0 111.113 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -62.32 -31.18 71.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 18.1 p30 -97.5 38.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.13 124.81 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.091 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 tt -125.98 140.48 48.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.073 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.404 ' HD1' ' HB2' ' A' ' 54' ' ' ALA . 69.2 m-85 -116.86 120.68 39.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.76 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.93 121.5 44.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.985 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mt -115.74 115.07 48.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.092 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 m -97.58 115.76 65.77 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.51 167.55 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.409 2.073 . . . . 0.0 112.268 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -131.58 151.55 51.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -60.33 -38.89 85.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -81.68 161.87 23.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.5 p -101.47 141.17 18.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.08 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 -32.43 7.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.79 154.43 17.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.913 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -145.84 148.95 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' HG2' HG21 ' A' ' 63' ' ' THR . 0.8 OUTLIER -110.31 115.35 29.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.74 142.45 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -146.35 108.67 4.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.404 ' HB2' ' HD1' ' A' ' 39' ' ' PHE . . . -141.73 102.1 4.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.032 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.2 tttm -156.9 153.31 27.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -99.13 29.93 3.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 14.1 ttp -177.22 85.72 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -60.55 126.15 40.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.1 p -148.25 134.39 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.851 0.358 . . . . 0.0 111.067 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.7 169.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.819 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.53 92.27 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -157.91 80.68 0.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.404 HG21 ' HG2' ' A' ' 51' ' ' GLU . 2.0 m -78.83 137.52 37.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -68.44 135.83 52.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.17 111.27 22.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 26.7 tp -83.03 105.93 14.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.96 163.73 26.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -92.57 -27.47 17.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.024 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -47.82 78.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.037 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.56 -44.74 93.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 84.0 mt -62.3 -43.34 99.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.1 mt -70.26 -33.1 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.36 -32.38 73.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 mt -74.88 -42.16 58.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -66.35 -31.89 72.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -79.0 -33.49 44.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.81 -62.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.43 46.43 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.579 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.4 t -114.17 140.12 36.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.112 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -109.29 -30.11 8.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -104.8 147.24 11.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.158 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.524 ' HB2' HG22 ' A' ' 92' ' ' VAL . 11.6 ttt -126.82 144.98 50.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.847 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.1 102.45 13.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.876 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 84' ' ' LEU . 10.8 mt -103.99 134.02 47.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 59.95 22.58 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.27 33.92 19.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.047 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -160.37 -70.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.95 145.23 42.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -122.71 128.42 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.828 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.821 HG22 HD12 ' A' ' 23' ' ' LEU . 26.3 t -127.42 156.44 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.137 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.447 ' N ' HG12 ' A' ' 90' ' ' VAL . 13.3 t30 -83.0 122.32 28.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.524 HG22 ' HB2' ' A' ' 82' ' ' MET . 25.1 t -69.42 -27.66 35.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.203 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -74.0 -29.33 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.199 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 49.4 mt -100.92 -30.22 11.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.184 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.646 HD13 HG11 ' A' ' 90' ' ' VAL . 23.1 tp -58.74 -39.68 81.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.957 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.9 mt -84.73 -32.37 7.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -59.43 -30.85 68.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.982 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 102' ' ' LYS . 4.0 tp -83.3 -48.18 10.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.066 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 16.7 mt -60.61 -26.97 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.59 -23.56 67.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.328 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.1 mppp? -114.03 -21.84 10.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.359 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.434 ' HE2' HD21 ' A' ' 98' ' ' LEU . 10.7 mmtt -71.96 -68.46 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.283 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -95.24 -40.7 9.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.275 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.9 115.15 2.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.935 0.397 . . . . 0.0 111.089 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 144.05 92.21 0.15 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -90.03 88.29 7.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 27.8 t 62.75 -80.33 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.044 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 121.03 -173.92 15.66 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.522 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.64 -173.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.549 2.166 . . . . 0.0 112.266 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.4 m -128.06 109.11 11.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 61.7 p -162.17 132.65 4.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.385 -1.23 . . . . 0.0 112.487 180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 p -119.19 31.67 6.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.874 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -153.44 -51.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.26 -126.78 8.88 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.61 177.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -139.89 156.02 46.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.36 121.96 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.551 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.471 HG22 ' N ' ' A' ' 9' ' ' SER . 23.5 mt -134.47 157.88 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.773 0.321 . . . . 0.0 111.174 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.471 ' N ' HG22 ' A' ' 8' ' ' ILE . 1.4 m -164.29 144.52 7.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 mt -89.62 112.99 24.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' HD11 ' A' ' 38' ' ' ILE . 9.8 mmtp -103.24 109.91 21.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -137.31 116.75 12.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.3 p -69.31 165.16 21.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.26 76.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.46 -31.25 71.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.08 -53.63 7.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.8 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 mt -61.49 -35.74 78.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -63.89 -40.52 96.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -66.12 -34.93 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.6 mtpp -73.67 -30.86 63.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 117.42 -15.57 12.99 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.727 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 90' ' ' VAL . 26.2 t -56.76 -67.22 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.871 0.367 . . . . 0.0 111.176 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.753 HD23 ' CE2' ' A' ' 34' ' ' PHE . 15.1 tp -70.07 142.25 52.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.694 HD12 HG13 ' A' ' 81' ' ' VAL . 64.3 mt -105.96 -68.34 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.59 176.1 11.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.896 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 34' ' ' PHE . 29.7 mt -138.96 112.74 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -73.24 64.91 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -177.79 -45.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.409 ' CD1' HG22 ' A' ' 37' ' ' VAL . 19.5 mt -113.45 169.39 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -92.35 -171.57 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.829 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.6 t -74.07 -36.82 45.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.052 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -74.24 -22.66 59.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -74.19 -16.72 60.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.173 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.753 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -48.83 -27.92 3.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.368 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -58.8 6.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -59.08 -35.93 74.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.025 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG22 ' CD1' ' A' ' 29' ' ' LEU . 31.4 t -60.16 140.22 18.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.069 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.449 HD11 ' HD2' ' A' ' 11' ' ' LYS . 18.9 tt -150.2 146.66 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.06 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -128.23 116.47 19.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.919 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.3 124.79 43.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.876 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 3.9 mt -118.66 136.04 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.2 m -114.05 130.23 24.08 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.29 127.71 12.97 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.519 2.146 . . . . 0.0 112.356 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.5 p -81.19 -179.96 7.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -88.08 -35.55 17.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -91.64 148.89 21.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 p -74.91 136.17 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.137 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 104.78 -38.48 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.444 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -71.71 149.54 45.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.33 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -145.23 129.01 17.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.66 105.42 16.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.9 t -100.65 126.27 54.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.062 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -128.61 148.09 50.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' ' CZ ' ' A' ' 85' ' ' PHE . . . -107.5 100.28 9.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.9 116.77 8.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -163.66 -62.78 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.81 -57.87 2.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 84.07 45.43 6.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.48 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 59' ' ' VAL . 12.0 p -94.98 121.12 45.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.845 0.355 . . . . 0.0 111.048 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 62.01 151.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -70.97 93.14 0.97 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -135.44 118.58 16.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.21 135.02 48.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -76.27 129.17 36.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.71 133.56 35.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.753 HD11 HD21 ' A' ' 71' ' ' LEU . 34.2 tp -129.59 101.77 6.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.33 175.0 9.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.801 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.417 ' CE1' HG23 ' A' ' 96' ' ' ILE . 0.9 OUTLIER -92.41 -31.59 15.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.874 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -44.06 95.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -61.73 -42.04 98.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.753 HD21 HD11 ' A' ' 66' ' ' LEU . 72.6 mt -65.65 -43.55 89.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.1 mt -69.48 -32.39 71.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.921 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -60.24 -31.79 70.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 81.7 mt -71.59 -40.33 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.68 -31.32 71.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -71.36 -41.47 69.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -79.06 -69.68 0.56 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.47 44.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.518 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 81' ' ' VAL . 24.6 t -117.69 88.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.789 0.328 . . . . 0.0 111.003 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.17 -32.47 68.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.694 HG13 HD12 ' A' ' 24' ' ' LEU . 20.4 t -96.54 133.75 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.9 ttp -109.42 158.01 18.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.916 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.43 97.47 6.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 90' ' ' VAL . 12.8 mt -98.02 126.07 43.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 63.4 m-85 61.05 31.88 19.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.909 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 44.14 31.41 0.54 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.396 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -152.43 -67.17 0.16 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.36 140.76 55.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -119.03 137.7 53.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.514 HG11 HD13 ' A' ' 95' ' ' LEU . 16.5 t -128.35 158.57 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.462 ' N ' HG12 ' A' ' 90' ' ' VAL . 23.3 t30 -92.03 115.98 28.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.494 HG12 HD11 ' A' ' 96' ' ' ILE . 21.3 t -69.24 -28.13 37.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.311 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -66.1 -29.43 69.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.073 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 75.7 mt -107.54 -29.54 9.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.089 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.514 HD13 HG11 ' A' ' 90' ' ' VAL . 50.2 tp -57.72 -40.46 79.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.163 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.494 HD11 HG12 ' A' ' 92' ' ' VAL . 37.3 mt -73.13 -42.47 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -57.74 -45.99 85.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.073 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.1 tp -59.4 -57.27 13.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.028 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 55.3 mt -59.51 -26.74 65.56 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -59.71 -26.48 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -111.66 -32.13 6.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.191 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 mmtt -60.53 -76.28 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.037 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -81.75 -45.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.023 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -58.24 107.66 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.898 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -138.27 27.94 2.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -98.62 122.31 41.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.784 0.325 . . . . 0.0 110.917 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.6 m -156.42 104.94 2.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.922 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 101.93 -174.21 24.17 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.45 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.92 153.2 68.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.549 2.166 . . . . 0.0 112.304 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.97 -49.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.6 p -106.83 158.79 16.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.348 -1.251 . . . . 0.0 112.445 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.47 140.2 30.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.843 0.354 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.13 -32.96 14.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.29 -122.74 0.67 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.1 m -67.65 166.33 15.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 110.892 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -135.38 31.37 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 -168.25 10.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.487 HG22 ' N ' ' A' ' 9' ' ' SER . 3.8 mp -121.52 158.8 24.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.851 0.358 . . . . 0.0 111.074 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' N ' HG22 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -103.73 146.73 28.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 HD22 ' HE2' ' A' ' 12' ' ' TYR . 13.2 mt -72.61 164.8 25.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HD2' HD11 ' A' ' 38' ' ' ILE . 19.9 mmtp -145.31 106.0 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.869 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.43 ' HE2' HD22 ' A' ' 10' ' ' LEU . 47.8 m-85 -134.4 155.47 50.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 p -115.77 166.5 11.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.551 ' HB1' ' CD2' ' A' ' 23' ' ' LEU . . . -59.43 -45.72 90.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.083 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.57 -35.64 80.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.091 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.1 tpp180 -68.15 -42.42 80.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.0 mt -74.09 -31.68 62.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.831 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.2 t-80 -63.11 -46.15 88.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -60.6 -42.12 96.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -64.88 -31.26 72.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.11 -21.38 8.85 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.601 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.785 HG12 ' CG1' ' A' ' 90' ' ' VAL . 20.1 t -55.15 -66.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.705 HD23 ' CE2' ' A' ' 34' ' ' PHE . 13.7 tp -71.47 118.47 14.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.782 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.64 HD13 HG22 ' A' ' 81' ' ' VAL . 10.5 mt -85.26 -72.2 0.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.988 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -154.24 -179.95 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.931 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.15 128.21 25.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.072 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -83.77 57.09 3.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -178.6 -43.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.5 mt -103.34 165.31 11.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.938 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -103.4 170.2 8.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.828 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.76 -35.58 46.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.256 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -73.9 -26.92 60.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.994 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -74.26 -15.57 60.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.309 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.705 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.2 m-85 -56.19 -22.89 31.87 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.741 0.305 . . . . 0.0 111.187 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.1 tttt -71.95 -30.08 64.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.139 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -92.11 48.7 1.44 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 0.0 111.003 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 21.4 t -148.55 142.68 18.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.459 HD11 ' HD2' ' A' ' 11' ' ' LYS . 1.2 tp -137.78 132.93 44.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -114.61 100.02 7.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.8 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.1 127.31 35.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.939 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 4.6 mt -122.25 99.95 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.5 m -75.94 117.17 61.91 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.73 135.61 68.03 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.382 2.055 . . . . 0.0 112.289 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -104.29 142.16 35.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.98 -40.86 90.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -78.84 175.95 10.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 47' ' ' VAL . 11.2 p -118.61 112.34 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.074 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.22 -50.57 0.78 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -92.34 135.71 33.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.754 0.311 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -125.09 158.6 33.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -113.94 102.68 10.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -96.58 123.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.8 105.87 13.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.928 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 85' ' ' PHE . . . -144.59 100.13 3.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -155.27 167.33 30.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -100.57 31.99 3.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -117.84 -62.27 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 76.28 61.14 2.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.531 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 17.0 m -137.01 178.32 4.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 111.087 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.68 94.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -173.3 3.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.74 97.89 3.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -60.92 169.21 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -81.63 134.14 35.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -110.64 133.54 53.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.593 HD21 HD21 ' A' ' 71' ' ' LEU . 14.4 tp -113.64 145.06 41.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -103.94 144.21 31.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.815 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.06 -32.7 59.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -60.21 -44.84 94.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.833 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -61.63 -35.02 76.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.598 HD22 HD23 ' A' ' 95' ' ' LEU . 88.8 mt -68.62 -42.17 78.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.52 -32.74 62.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.05 -32.72 73.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.653 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.2 mt -67.25 -36.48 81.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.23 -31.51 71.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -72.8 -44.05 61.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -69.49 -47.1 64.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 120.06 43.78 0.47 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.533 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -107.27 127.67 62.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.378 . . . . 0.0 111.067 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -100.07 -31.08 11.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.64 HG22 HD13 ' A' ' 24' ' ' LEU . 21.4 t -111.12 135.52 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.1 ttp -116.42 146.21 42.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 104.66 16.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.7 mt -109.33 133.37 53.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.958 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 68.5 m-85 59.47 23.71 12.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 54.39 28.59 9.68 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.162 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 64.9 mtt-85 -157.82 -73.16 0.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.35 135.12 57.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HD2' HG11 ' A' ' 81' ' ' VAL . 11.7 mtmt -120.5 134.19 55.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.867 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.785 ' CG1' HG12 ' A' ' 22' ' ' VAL . 21.3 t -128.51 150.68 34.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.194 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.98 120.67 22.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.653 HG11 ' HB2' ' A' ' 74' ' ' LEU . 20.0 t -69.8 -29.32 40.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -71.3 -29.77 65.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.966 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 53.1 mt -101.43 -26.87 13.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.173 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.598 HD23 HD22 ' A' ' 71' ' ' LEU . 48.7 tp -56.63 -50.37 72.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.3 mt -72.84 -30.85 34.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -59.15 -36.8 75.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.014 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.8 tp -70.21 -49.52 49.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.97 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 5.5 mt -66.1 -29.31 69.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.067 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -59.35 -25.42 64.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.225 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -9.9 10.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.524 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -91.46 -76.22 0.45 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.773 0.32 . . . . 0.0 111.129 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.447 ' CZ ' ' CG2' ' A' ' 41' ' ' ILE . 66.3 m-85 -78.52 -30.33 47.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.184 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.5 121.79 11.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.015 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 138.84 93.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 mmpt? -109.13 164.1 12.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.755 0.312 . . . . 0.0 111.003 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.6 m -129.04 88.63 2.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 177.45 -60.4 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.65 154.57 68.03 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.533 2.155 . . . . 0.0 112.334 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 23.3 t 61.12 41.33 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.13 139.96 36.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.341 -1.255 . . . . 0.0 112.488 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.213 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -160.71 132.2 5.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.801 0.334 . . . . 0.0 110.955 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.7 t -81.34 -41.91 21.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.72 -118.69 4.41 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.35 -179.85 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.818 0.342 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.2 m -80.57 -60.26 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.831 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.07 -163.49 29.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.43 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 9' ' ' SER . 2.9 mp -86.66 158.11 3.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' N ' HG22 ' A' ' 8' ' ' ILE . 18.1 m -144.91 151.07 38.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mt -82.44 138.01 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -128.81 103.43 7.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -133.4 141.89 48.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.7 p -86.01 175.17 8.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' HB3' ' CA ' ' A' ' 34' ' ' PHE . . . -74.95 -30.76 61.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.147 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.58 -37.95 83.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -68.52 -53.82 20.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.862 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.9 mt -59.22 -31.12 68.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -72.62 -39.07 67.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -73.24 -40.19 64.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -67.92 -34.99 77.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.93 -19.15 7.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.661 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 90' ' ' VAL . 21.5 t -55.01 -67.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.816 0.341 . . . . 0.0 111.25 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.768 ' CD1' HG22 ' A' ' 90' ' ' VAL . 11.8 tp -72.55 140.85 48.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 ' CD1' HG13 ' A' ' 81' ' ' VAL . 5.7 mt -102.92 -67.99 0.85 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.032 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -157.86 -179.92 8.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.7 mt -137.12 127.65 39.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.999 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -82.94 58.67 4.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.959 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -178.6 -45.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.1 mt -108.18 -176.55 3.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -121.95 175.32 6.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.5 t -59.59 -30.26 44.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 -71.63 -28.23 63.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.51 ' O ' HG23 ' A' ' 37' ' ' VAL . 4.5 mt-30 -79.74 -19.64 48.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.299 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.425 ' CA ' ' HB3' ' A' ' 14' ' ' ALA . 3.3 m-85 -49.73 -28.27 5.9 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.793 0.33 . . . . 0.0 111.27 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -59.86 -54.53 45.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -65.03 -36.89 85.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 33' ' ' GLN . 21.8 t -60.09 125.32 16.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.21 136.67 59.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -108.71 100.0 9.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -95.69 108.84 21.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -102.75 114.56 42.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -88.32 110.98 40.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.79 133.28 21.6 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.402 2.068 . . . . 0.0 112.333 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 23.3 p -86.6 -179.83 6.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.71 15.07 13.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.373 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -139.46 173.25 11.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.853 0.359 . . . . 0.0 110.79 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.514 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.8 p -107.16 118.58 55.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.097 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.72 -47.53 0.99 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.572 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -88.35 137.43 32.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -130.28 150.27 51.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -116.48 108.19 15.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.488 HG21 HD22 ' A' ' 66' ' ' LEU . 21.5 t -95.06 136.09 27.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -133.14 160.9 35.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -160.06 100.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HE2' HG12 ' A' ' 59' ' ' VAL . 11.4 mmmt -144.41 177.63 8.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.3 -36.04 7.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 59.0 mmm -107.29 -31.91 8.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 90.67 81.36 1.39 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.492 HG12 ' HE2' ' A' ' 55' ' ' LYS . 12.3 p -102.45 128.32 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.904 0.383 . . . . 0.0 111.128 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.04 101.96 13.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.33 -45.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -134.65 143.93 47.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.91 155.6 45.5 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.8 148.26 22.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.961 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 6.4 mtt -107.47 136.74 46.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.488 HD22 HG21 ' A' ' 52' ' ' VAL . 11.9 tp -130.55 132.97 45.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.68 151.42 22.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.872 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE2' HD11 ' A' ' 72' ' ' LEU . 8.6 t80 -79.41 -30.99 42.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.41 -48.58 81.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -56.57 -30.79 63.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.098 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.2 mt -72.86 -45.02 60.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.491 HD11 ' CE2' ' A' ' 68' ' ' TYR . 12.2 mt -74.48 -31.59 62.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.953 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -33.47 72.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.581 HD13 HG21 ' A' ' 92' ' ' VAL . 33.5 mt -72.26 -31.63 65.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -71.24 -31.06 67.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -82.13 -39.63 23.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.89 -34.81 76.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.71 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.8 t -113.1 105.02 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.74 0.305 . . . . 0.0 111.118 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -92.76 14.86 15.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.422 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.456 HG13 ' CD1' ' A' ' 24' ' ' LEU . 24.9 t -131.91 134.46 59.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.781 0.324 . . . . 0.0 111.044 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.415 ' CE ' HD11 ' A' ' 66' ' ' LEU . 9.5 ttt -119.28 158.82 25.29 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -122.22 102.25 8.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.5 mt -95.24 133.27 39.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.758 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 60.22 21.76 11.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 55.59 37.7 29.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -156.03 -75.16 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.6 144.12 44.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.258 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 mtmt -120.61 123.16 42.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.768 HG22 ' CD1' ' A' ' 23' ' ' LEU . 17.1 t -120.05 155.12 23.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.14 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.403 HD22 HD12 ' A' ' 94' ' ' LEU . 52.4 t-20 -84.46 121.12 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.862 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.581 HG21 HD13 ' A' ' 74' ' ' LEU . 26.1 t -71.16 -29.95 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -70.83 -30.04 66.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.403 HD12 HD22 ' A' ' 91' ' ' ASN . 82.7 mt -100.09 -31.35 11.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.035 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.407 HD13 HG11 ' A' ' 90' ' ' VAL . 41.7 tp -59.62 -43.94 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.943 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.49 HG23 ' CE1' ' A' ' 68' ' ' TYR . 34.9 mt -76.06 -31.01 21.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -63.59 -43.75 96.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.51 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.3 -29.22 69.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -58.16 -29.5 65.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.997 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -112.28 -29.39 7.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.068 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -71.61 -60.55 2.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.083 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.13 -53.59 4.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.176 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.8 94.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.986 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -155.29 49.3 0.48 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.77 28.18 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.717 0.294 . . . . 0.0 110.969 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.3 m -90.02 -63.53 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.887 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -81.8 150.38 29.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.54 93.04 0.59 Allowed 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.499 2.133 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.82 -31.61 22.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 88.2 p -148.44 166.43 28.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.361 -1.244 . . . . 0.0 112.459 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t 60.57 31.58 20.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.769 0.318 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -111.8 150.93 29.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.899 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.65 -133.63 6.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m 60.15 34.44 21.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -85.09 -179.17 6.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.45 16.8 7.42 Favored Glycine 0 CA--C 1.518 0.267 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.692 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt 61.61 150.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.858 0.361 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -178.06 128.41 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.99 127.57 32.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.809 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HD3' HD11 ' A' ' 38' ' ' ILE . 0.2 OUTLIER -110.55 100.06 8.94 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -121.74 153.3 38.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 p -114.72 156.6 24.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.87 -39.95 82.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.004 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.37 -39.46 81.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.048 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 19.2 tpp85 -64.49 -31.62 72.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.0 mt -84.09 -39.97 18.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -60.22 -36.65 78.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -72.21 -31.08 65.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.921 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.6 mtpp -77.61 -31.14 52.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.13 -21.2 8.9 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.521 HG21 HD22 ' A' ' 98' ' ' LEU . 26.5 t -56.77 -64.28 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.757 0.313 . . . . 0.0 111.258 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.621 ' CD1' HG22 ' A' ' 90' ' ' VAL . 12.3 tp -74.6 129.16 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.925 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 91' ' ' ASN . 12.0 mt -92.34 -68.29 0.81 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -160.06 -179.96 8.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.5 HD12 ' CE1' ' A' ' 34' ' ' PHE . 30.7 mt -140.11 140.59 35.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.992 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -89.67 51.32 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.878 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -179.86 -42.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.954 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.1 mm? -99.58 130.28 45.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.044 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -77.43 163.68 26.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.728 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 30.8 t -54.21 -30.08 20.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.331 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -77.64 -29.42 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.67 ' O ' HG23 ' A' ' 37' ' ' VAL . 27.8 mt-30 -73.82 -19.52 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.164 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.5 ' CE1' HD12 ' A' ' 26' ' ' ILE . 3.2 m-85 -51.8 -29.81 20.65 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.193 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -61.44 -51.6 68.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -68.3 -29.96 68.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.046 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.67 HG23 ' O ' ' A' ' 33' ' ' GLN . 31.2 t -64.28 145.57 13.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.083 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.622 HG23 ' HB3' ' A' ' 55' ' ' LYS . 18.2 tt -151.79 136.73 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.135 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -116.49 131.08 57.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -113.79 111.04 21.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.94 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.6 mt -101.25 112.8 35.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.091 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.1 m -89.89 112.19 50.74 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -60.88 -171.57 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.424 2.083 . . . . 0.0 112.261 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -139.49 160.05 40.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -59.89 -41.72 92.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.33 178.76 6.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG13 ' A' ' 47' ' ' VAL . 12.3 p -114.16 113.71 44.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.53 -33.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.405 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -106.05 141.83 36.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.771 0.319 . . . . 0.0 110.928 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -130.83 169.73 15.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.73 100.22 4.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.99 138.71 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HD3' HG22 ' A' ' 63' ' ' THR . 4.5 tttm -157.54 141.52 15.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -98.31 116.1 29.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.082 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.622 ' HB3' HG23 ' A' ' 38' ' ' ILE . 1.6 tmtt? -71.17 100.88 2.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.965 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.1 -60.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.825 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.7 ptp -121.97 -177.49 3.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.94 67.41 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.572 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -60.28 -30.99 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.81 0.338 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -104.79 -168.75 1.52 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.823 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.22 40.28 3.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -146.56 135.71 22.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.535 HG22 ' HD3' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -71.03 164.97 24.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -88.69 109.67 20.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.7 ttt -73.63 130.71 40.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.6 tp -120.84 142.06 49.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.05 145.11 48.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -69.25 -31.33 69.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -66.73 -31.3 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -71.07 -32.46 69.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.0 mt -71.83 -47.44 53.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.987 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 73.7 mt -66.76 -30.1 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.948 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -58.98 -31.01 68.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' HB2' HG11 ' A' ' 92' ' ' VAL . 4.4 mt -76.98 -38.42 53.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.5 -30.95 66.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 14.1 t80 -78.53 -39.68 37.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.846 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -73.27 -57.08 4.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 140.33 51.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.451 HG12 ' H ' ' A' ' 81' ' ' VAL . 14.0 t -138.74 111.71 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.834 0.35 . . . . 0.0 111.012 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -95.54 17.33 14.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.504 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.451 ' H ' HG12 ' A' ' 79' ' ' VAL . 21.3 t -138.72 139.25 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.116 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.46 ' HB2' HG22 ' A' ' 92' ' ' VAL . 10.1 ttp -120.91 116.26 24.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.53 103.43 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.421 HD23 ' HA ' ' A' ' 84' ' ' LEU . 29.4 mt -104.1 127.5 51.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 60.67 20.46 10.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.165 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 53.92 32.58 15.53 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.156 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 34.2 mtt85 -151.12 -76.15 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.93 133.09 49.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.214 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -116.74 135.17 53.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 23' ' ' LEU . 16.8 t -124.47 145.3 31.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.465 ' HB2' HD21 ' A' ' 24' ' ' LEU . 61.4 t30 -71.51 115.35 10.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.807 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.487 HG11 ' HB2' ' A' ' 74' ' ' LEU . 24.4 t -66.52 -31.5 53.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.076 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.72 -39.47 93.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.954 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD12 HD22 ' A' ' 91' ' ' ASN . 22.7 mt -93.6 -27.59 16.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.068 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 61.0 tp -56.99 -45.0 83.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.987 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.9 mt -72.49 -38.17 59.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -60.83 -35.75 77.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 22' ' ' VAL . 43.8 tp -73.08 -43.08 62.31 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 47.1 mt -73.75 -30.26 62.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -59.4 -28.04 66.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.39 -30.95 7.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.972 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.7 mmtt -68.68 -75.68 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.966 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -77.0 -53.87 7.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.922 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -68.74 72.5 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -176.76 44.07 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.539 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.08 154.28 18.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.762 0.315 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.87 -70.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.948 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.22 76.44 0.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.612 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.21 131.27 40.21 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.546 2.164 . . . . 0.0 112.202 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.1 m -120.58 122.94 41.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.8 m -94.04 -45.49 7.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.443 -1.198 . . . . 0.0 112.452 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.17 131.89 51.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.872 0.367 . . . . 0.0 110.82 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 p -157.16 105.83 2.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.959 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -101.31 0.19 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.467 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 p -77.11 164.67 25.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.5 p -155.99 -48.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.03 -117.19 2.52 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.517 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.21 154.91 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 111.141 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t 60.96 155.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.3 mt -113.09 163.94 14.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HG3' HD11 ' A' ' 38' ' ' ILE . 20.2 tptt -150.15 103.74 3.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.853 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 38' ' ' ILE . 10.3 m-85 -131.52 137.92 48.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.998 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 37' ' ' VAL . 5.3 p -87.89 165.28 15.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.825 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.75 -41.04 94.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.9 83.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -47.52 71.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -66.67 -31.42 72.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -64.93 -42.47 94.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.945 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.57 -45.18 80.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -60.35 -30.83 69.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.499 ' C ' HD13 ' A' ' 94' ' ' LEU . . . 115.47 -19.05 14.91 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.705 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -55.11 -66.43 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.825 0.345 . . . . 0.0 111.339 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 HD12 HG22 ' A' ' 90' ' ' VAL . 14.3 tp -74.2 116.18 14.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.995 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.521 ' CD1' HG13 ' A' ' 81' ' ' VAL . 8.4 mt -78.44 -66.53 0.84 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -160.03 -179.93 8.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HD11 HD21 ' A' ' 23' ' ' LEU . 30.9 mt -143.56 127.98 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.969 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -83.22 56.62 3.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.978 0.418 . . . . 0.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -177.79 -50.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 33' ' ' GLN . 3.9 mm? -99.38 116.95 32.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.876 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -60.62 166.03 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.811 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.87 -36.42 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.197 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -72.7 -26.29 61.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.534 ' HB3' HD12 ' A' ' 29' ' ' LEU . 17.1 mt-30 -75.63 -15.68 60.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.282 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.441 ' CE2' HD23 ' A' ' 23' ' ' LEU . 3.1 m-85 -51.51 -27.63 11.19 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.778 0.323 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 5.4 tmtt? -67.73 -29.75 69.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -97.56 35.33 1.67 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.932 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 13' ' ' THR . 21.5 t -137.55 141.04 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.125 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.753 HD11 ' HG3' ' A' ' 11' ' ' LYS . 8.6 tp -136.2 148.89 27.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.203 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -121.69 103.38 8.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 tt0 -87.36 120.78 29.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 51' ' ' GLU . 3.9 mt -118.62 115.47 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.039 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 m -91.78 114.15 61.07 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -57.37 148.73 69.75 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.463 2.108 . . . . 0.0 112.288 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.7 p -109.75 142.38 41.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.933 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -59.8 -39.27 84.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 161.85 16.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.2 p -92.94 146.2 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 100.19 -28.99 13.19 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.442 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.47 151.26 20.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -154.51 137.78 15.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' O ' HG23 ' A' ' 41' ' ' ILE . 4.5 mt-10 -105.93 114.31 28.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.26 130.46 65.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.176 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 63' ' ' THR . 4.5 ttpm? -150.14 153.43 36.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -137.57 117.65 13.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -72.86 104.47 4.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -174.81 -42.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.835 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -164.64 69.71 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.784 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -86.67 -170.34 46.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.578 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 11.3 m -110.03 -20.09 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.637 0.256 . . . . 0.0 111.383 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 63.3 84.78 0.14 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.868 0.366 . . . . 0.0 110.916 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 2.4 ptm -179.1 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -167.0 166.21 15.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.456 HG23 ' HD3' ' A' ' 53' ' ' LYS . 19.4 m -96.05 148.27 22.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -74.57 101.46 4.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.965 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -82.38 106.18 14.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 71' ' ' LEU . 51.4 tp -84.7 137.26 33.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -99.8 161.54 13.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.923 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.464 ' CD2' HD11 ' A' ' 72' ' ' LEU . 22.6 t80 -88.83 -33.92 17.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -66.45 -31.73 72.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -68.21 -40.61 82.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.522 HD21 HD21 ' A' ' 66' ' ' LEU . 45.1 mt -63.17 -47.15 83.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 68' ' ' TYR . 9.6 mt -65.17 -29.86 70.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.954 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -58.44 -32.98 69.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.878 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 67.4 mt -79.95 -31.65 39.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -70.68 -31.14 67.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -85.39 -41.14 15.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -64.37 -40.52 96.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.17 46.52 0.5 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.347 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.42 HG12 ' O ' ' A' ' 81' ' ' VAL . 21.5 t -135.17 110.05 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.84 0.353 . . . . 0.0 111.077 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -81.75 -39.44 24.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG13 ' CD1' ' A' ' 24' ' ' LEU . 21.4 t -84.28 134.75 26.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ttt -113.57 146.53 39.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.43 105.61 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.834 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 90' ' ' VAL . 18.0 mt -112.96 133.3 54.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.019 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 58.6 23.04 10.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 53.5 28.58 7.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.852 0.358 . . . . 0.0 111.185 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -154.98 -73.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.57 131.58 51.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HD3' HG11 ' A' ' 81' ' ' VAL . 68.8 mttt -115.17 124.91 52.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.646 HG22 HD12 ' A' ' 23' ' ' LEU . 21.2 t -119.3 154.8 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.206 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.404 ' N ' HG12 ' A' ' 90' ' ' VAL . 17.6 t30 -86.64 120.04 27.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG11 ' O ' ' A' ' 71' ' ' LEU . 28.8 t -66.02 -27.0 39.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.226 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -74.01 -29.02 61.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.169 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.499 HD13 ' C ' ' A' ' 21' ' ' GLY . 9.7 mt -100.95 -28.55 12.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.112 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.639 HD13 HG11 ' A' ' 90' ' ' VAL . 22.8 tp -57.74 -45.29 86.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.04 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.4 mt -73.08 -31.13 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.09 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -60.87 -42.92 98.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.9 tp -63.58 -49.33 73.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.8 -28.29 65.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -56.95 -26.04 58.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.324 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.64 -27.08 7.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.395 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.6 mmtt -72.63 -70.12 0.37 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.376 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -87.31 -43.06 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.445 -179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.19 123.89 13.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.831 0.348 . . . . 0.0 111.157 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.05 -60.2 0.43 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.394 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.85 78.65 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.86 0.362 . . . . 0.0 110.997 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 11.6 p 59.18 109.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.69 144.11 4.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.65 142.67 60.26 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.565 2.176 . . . . 0.0 112.251 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 p -90.23 124.19 34.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -140.38 -55.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.454 179.962 . . . . . . . . 0 0 . 1 stop_ save_